PestiMix 4 5 μg/mL in Acetonitrile:Acetone (72:13.5)
Product Code
DRE-A50000085AA
CAS Number
99 AnalytesProduct Format
Mixture
Solvent
Acetonitrile:Acetone
Product Categories
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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1-(3,4-Dichlorophenyl)-3-methyl urea
5 µg/mL
6-Chloro-4-hydroxy-3-phenyl-pyridazin
5 µg/mL
Tris(2-chloro-1-(chloromethyl)ethyl) phosphate
5 µg/mL
{{ analyteItem.analyteName }}
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
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(E)-Metominostrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H16 N2 O3
Molecular Weight
284.31
Accurate Mass
284.1161
SMILES
CNC(=O)\C(=N\OC)\c1ccccc1Oc2ccccc2
InChI
InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+
IUPAC
(2E)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide
(E)-Nitenpyram
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 Cl N4 O2
Molecular Weight
270.72
Accurate Mass
270.0884
SMILES
CCN(Cc1ccc(Cl)nc1)\C(=C\[N+](=O)[O-])\NC
InChI
InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+
IUPAC
(E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
(Z)-Metominostrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H16 N2 O3
Molecular Weight
284.31
Accurate Mass
284.1161
SMILES
CNC(=O)\C(=N/OC)\c1ccccc1Oc2ccccc2
InChI
InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15-
IUPAC
(2Z)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide
(±)-Fenpropathrin
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C22 H23 N O3
Molecular Weight
349.42
Accurate Mass
349.1678
SMILES
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
1,2-Benzisothiazol-3(2H)-one
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H5 N O S
Molecular Weight
151.19
Accurate Mass
151.0092
SMILES
O=C1NSc2ccccc12
InChI
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
IUPAC
1,2-benzothiazol-3-one
1-(3,4-Dichlorophenyl)-3-methyl urea
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8 Cl2 N2 O
Molecular Weight
219.07
Accurate Mass
218.0014
SMILES
CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
IUPAC
1-(3,4-dichlorophenyl)-3-methylurea
2,6-Dichlorobenzamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H5 Cl2 N O
Molecular Weight
190.03
Accurate Mass
188.9748
SMILES
NC(=O)c1c(Cl)cccc1Cl
InChI
InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
IUPAC
2,6-dichlorobenzamide
2,6-Diethylaniline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 N
Molecular Weight
149.23
Accurate Mass
149.1204
SMILES
CCc1cccc(CC)c1N
InChI
InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
IUPAC
2,6-diethylaniline
3,4-Dichloroaniline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl2 N
Molecular Weight
162.02
Accurate Mass
160.9799
SMILES
Nc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
IUPAC
3,4-dichloroaniline
6-Chloro-4-hydroxy-3-phenyl-pyridazin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H7 Cl N2 O
Molecular Weight
206.63
Accurate Mass
206.0247
SMILES
Oc1cc(Cl)nnc1c2ccccc2
InChI
InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
IUPAC
6-chloro-3-phenylpyridazin-4-ol
Akton
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 Cl3 O3 P S
Molecular Weight
375.64
Accurate Mass
373.9467
SMILES
CCOP(=S)(OCC)OC(=CCl)c1cc(Cl)ccc1Cl
InChI
InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3
IUPAC
[2-chloro-1-(2,5-dichlorophenyl)ethenoxy]-diethoxy-sulfanylidene-?^{5}-phosphane
Alloxydim-sodium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H24 N O5 . Na
Molecular Weight
345.37
Accurate Mass
345.1552
SMILES
[Na+].CCC\C(=N/OCC=C)\C1=C([O-])CC(C)(C)C(C(=O)OC)C1=O
InChI
InChI=1S/C17H25NO5.Na/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5;/h7,14,19H,2,6,8-10H2,1,3-5H3;/q;+1/p-1/b18-11+;
IUPAC
sodium;4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-olate
alpha-Cypermethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H19 Cl2 N O3
Molecular Weight
416.30
Accurate Mass
415.0742
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2
Ancymidol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H16 N2 O2
Molecular Weight
256.30
Accurate Mass
256.1212
SMILES
COc1ccc(cc1)C(O)(C2CC2)c3cncnc3
InChI
InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
IUPAC
cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
Azadirachtin A
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C35 H44 O16
Molecular Weight
720.72
Accurate Mass
720.2629
SMILES
COC(=O)[C@@]1(O)OC[C@@]23[C@H](C[C@@H](OC(=O)C)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@H]12)[C@]56O[C@@]5(C)[C@H]7C[C@@H]6O[C@@H]8OC=C[C@]78O)[C@H]34)C(=O)OC)OC(=O)\C(=C\C)\C
InChI
InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
IUPAC
dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetoxy-4,7-dihydroxy-6-[(2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0^{2,6}.0^{9,11}]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.0^{1,5}.0^{11,15}]pentadecane-4,11-dicarboxylate
Aziprotryne
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H11 N7 S
Molecular Weight
225.27
Accurate Mass
225.0797
SMILES
CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1
InChI
InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
IUPAC
4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
Bentazone-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H14 N2 O3 S
Molecular Weight
254.31
Accurate Mass
254.0725
SMILES
CC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O
InChI
InChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3
IUPAC
1-methyl-2,2-dioxo-3-propan-2-yl-2?^{6},1,3-benzothiadiazin-4-one
Bioresmethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H26 O3
Molecular Weight
338.44
Accurate Mass
338.1882
SMILES
CC(=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C
InChI
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1
IUPAC
(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Cafenstrole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H22 N4 O3 S
Molecular Weight
350.44
Accurate Mass
350.1413
SMILES
CCN(CC)C(=O)n1cnc(n1)S(=O)(=O)c2c(C)cc(C)cc2C
InChI
InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
IUPAC
N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide
Carbofuran-3-keto
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H13 N O4
Molecular Weight
235.24
Accurate Mass
235.0845
SMILES
CNC(=O)Oc1cccc2C(=O)C(C)(C)Oc12
InChI
InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
IUPAC
(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate
Clomeprop
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H15 Cl2 N O2
Molecular Weight
324.20
Accurate Mass
323.048
SMILES
CC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc2ccccc2
InChI
InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)
IUPAC
2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide
Clopyralid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl2 N O2
Molecular Weight
192.00
Accurate Mass
190.9541
SMILES
OC(=O)c1nc(Cl)ccc1Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
IUPAC
3,6-dichloropyridine-2-carboxylic acid
Cyantraniliprole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H14 Br Cl N6 O2
Molecular Weight
473.71
Accurate Mass
472.005
SMILES
CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl)C#N
InChI
InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)
IUPAC
5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
Cycloprothrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C26 H21 Cl2 N O4
Molecular Weight
482.36
Accurate Mass
481.0848
SMILES
CCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3
InChI
InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Deoxynivalenol
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C15 H20 O6
Molecular Weight
296.32
Accurate Mass
296.126
SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O
InChI
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
Diclocymet
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H18 Cl2 N2 O
Molecular Weight
313.22
Accurate Mass
312.0796
SMILES
C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl
InChI
InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1
IUPAC
2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
Diclosulam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H10 Cl2 F N5 O3 S
Molecular Weight
406.22
Accurate Mass
404.9865
SMILES
CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc3c(Cl)cccc3Cl
InChI
InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
IUPAC
N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Diethatyl-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H22 Cl N O3
Molecular Weight
311.80
Accurate Mass
311.1288
SMILES
CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3
IUPAC
ethyl 2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetate
Dimethametryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H21 N5 S
Molecular Weight
255.38
Accurate Mass
255.1518
SMILES
CCNc1nc(NC(C)C(C)C)nc(SC)n1
InChI
InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
IUPAC
2-N-ethyl-4-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Dimethirimol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H19 N3 O
Molecular Weight
209.29
Accurate Mass
209.1528
SMILES
CCCCc1c(C)nc(nc1O)N(C)C
InChI
InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
IUPAC
5-butyl-2-(dimethylamino)-6-methylpyrimidin-4-ol
Diphenylamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 N
Molecular Weight
169.22
Accurate Mass
169.0891
SMILES
N(c1ccccc1)c2ccccc2
InChI
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
IUPAC
N-phenylaniline
Ethaboxam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 N4 O S2
Molecular Weight
320.43
Accurate Mass
320.0766
SMILES
CCNc1nc(CC)c(s1)C(=O)NC(C#N)c2cccs2
InChI
InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)
IUPAC
N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
Ethiozin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 N4 O S
Molecular Weight
228.31
Accurate Mass
228.1045
SMILES
CCSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI
InChI=1S/C9H16N4OS/c1-5-15-8-12-11-6(9(2,3)4)7(14)13(8)10/h5,10H2,1-4H3
IUPAC
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
Ethychlozate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H11 Cl N2 O2
Molecular Weight
238.67
Accurate Mass
238.0509
SMILES
CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12
InChI
InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)
IUPAC
ethyl 2-(5-chloro-1H-indazol-3-yl)acetate
Fenazox
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10 N2 O
Molecular Weight
198.22
Accurate Mass
198.0793
SMILES
[O-][N+](=Nc1ccccc1)c2ccccc2
InChI
InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H/b14-13-
IUPAC
(Z)-oxido-phenyl-phenyliminoazanium
Fenclorim
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl2 N2
Molecular Weight
225.07
Accurate Mass
223.9908
SMILES
Clc1cc(Cl)nc(n1)c2ccccc2
InChI
InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
IUPAC
4,6-dichloro-2-phenylpyrimidine
Ferimzone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H18 N4
Molecular Weight
254.33
Accurate Mass
254.1531
SMILES
C\C(=N\N=C/1\NC(=CC(=N1)C)C)\c2ccccc2C
InChI
InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13-
IUPAC
(Z)-4,6-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]-1H-pyrimidin-2-imine
Fipronil-desulfinyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl2 F6 N4
Molecular Weight
389.08
Accurate Mass
387.9717
SMILES
Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2
IUPAC
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile
Flamprop-M-isopropyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H19 Cl F N O3
Molecular Weight
363.81
Accurate Mass
363.1037
SMILES
CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2
InChI
InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m0/s1
IUPAC
propan-2-yl (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
Flumetsulam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 F2 N5 O2 S
Molecular Weight
325.29
Accurate Mass
325.0445
SMILES
Cc1ccn2nc(nc2n1)S(=O)(=O)Nc3c(F)cccc3F
InChI
InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
IUPAC
N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Flumiclorac-pentyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H23 Cl F N O5
Molecular Weight
423.86
Accurate Mass
423.1249
SMILES
CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
InChI
InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3
IUPAC
pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate
Fluopyram
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H11 Cl F6 N2 O
Molecular Weight
396.71
Accurate Mass
396.0464
SMILES
FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChI
InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)
IUPAC
N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide
Fluorodifen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H7 F3 N2 O5
Molecular Weight
328.20
Accurate Mass
328.0307
SMILES
[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1
InChI
InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H
IUPAC
2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
Fluoroglycofen-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H13 Cl F3 N O7
Molecular Weight
447.75
Accurate Mass
447.0333
SMILES
CCOC(=O)COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
IUPAC
(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Flupyrsulfuron-methyl sodium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H13 F3 N5 O7 S . Na
Molecular Weight
487.343
Accurate Mass
487.0385
SMILES
[Na+].COC(=O)c1ccc(nc1S(=O)(=O)[N-]C(=O)Nc2nc(OC)cc(OC)n2)C(F)(F)F
InChI
InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1
IUPAC
sodium;(4,6-dimethoxypyrimidin-2-yl)carbamoyl-[3-methoxycarbonyl-6-(trifluoromethyl)pyridin-2-yl]sulfonylazanide
Fluroxypyr
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H5 Cl2 F N2 O3
Molecular Weight
255.03
Accurate Mass
253.9661
SMILES
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl
InChI
InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
IUPAC
2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid
Fluthiacet-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H15 Cl F N3 O3 S2
Molecular Weight
403.88
Accurate Mass
403.0227
SMILES
COC(=O)CSc1cc(N=C2SC(=O)N3CCCCN23)c(F)cc1Cl
InChI
InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3
IUPAC
methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
Fomesafen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H10 Cl F3 N2 O6 S
Molecular Weight
438.76
Accurate Mass
437.99
SMILES
CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
IUPAC
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
Imazapic
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H17 N3 O3
Molecular Weight
275.30
Accurate Mass
275.127
SMILES
CC(C)C1(C)N=C(NC1=O)c2ncc(C)cc2C(=O)O
InChI
InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)
IUPAC
5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Imiprothrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H22 N2 O4
Molecular Weight
318.37
Accurate Mass
318.158
SMILES
CC(=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C)C
InChI
InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3
IUPAC
(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Indanofan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H17 Cl O3
Molecular Weight
340.80
Accurate Mass
340.0866
SMILES
CCC1(CC2OC2c3cccc(Cl)c3)C(=O)c4ccccc4C1=O
InChI
InChI=1S/C20H17ClO3/c1-2-20(18(22)14-8-3-4-9-15(14)19(20)23)11-16-17(24-16)12-6-5-7-13(21)10-12/h3-10,16-17H,2,11H2,1H3
IUPAC
2-[[3-(3-chlorophenyl)oxiran-2-yl]methyl]-2-ethylindene-1,3-dione
Indaziflam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H20 F N5
Molecular Weight
301.36
Accurate Mass
301.1703
SMILES
CC(F)c1nc(N)nc(N[C@@H]2[C@@H](C)Cc3ccc(C)cc23)n1
InChI
InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10?,13+/m0/s1
IUPAC
4-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Irgarol 1051
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H19 N5 S
Molecular Weight
253.37
Accurate Mass
253.1361
SMILES
CSc1nc(NC2CC2)nc(NC(C)(C)C)n1
InChI
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
IUPAC
4-N-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Isomethiozin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H20 N4 O S
Molecular Weight
268.38
Accurate Mass
268.1358
SMILES
CSC1=NN=C(CC(C)C)C(=O)N1\N=C\C(C)C
InChI
InChI=1S/C12H20N4OS/c1-8(2)6-10-11(17)16(13-7-9(3)4)12(18-5)15-14-10/h7-9H,6H2,1-5H3/b13-7+
IUPAC
6-(2-methylpropyl)-4-[(E)-2-methylpropylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
Ketoprofen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 O3
Molecular Weight
254.28
Accurate Mass
254.0943
SMILES
CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
IUPAC
2-(3-benzoylphenyl)propanoic acid
Lactofen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H15 Cl F3 N O7
Molecular Weight
461.77
Accurate Mass
461.0489
SMILES
CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
IUPAC
(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Methfuroxam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H15 N O2
Molecular Weight
229.27
Accurate Mass
229.1103
SMILES
Cc1oc(C)c(C(=O)Nc2ccccc2)c1C
InChI
InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)
IUPAC
2,4,5-trimethyl-N-phenylfuran-3-carboxamide
Methomyl-oxime
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H7 N O S
Molecular Weight
105.16
Accurate Mass
105.0248
SMILES
CONC(=S)C
InChI
InChI=1S/C3H7NOS/c1-3(6)4-5-2/h1-2H3,(H,4,6)
IUPAC
N-methoxyethanethioamide
MGK 264
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H25 N O2
Molecular Weight
275.39
Accurate Mass
275.1885
SMILES
CCCCC(CC)CN1C(=O)C2[C@@H]3C[C@@H](C=C3)C2C1=O
InChI
InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+,14?,15?
IUPAC
N-(2-Ethylhexyl)-5-norbornen-2,3-dicarboximide
N,N'-Diphenylurea
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H12 N2 O
Molecular Weight
212.25
Accurate Mass
212.095
SMILES
O=C(Nc1ccccc1)Nc2ccccc2
InChI
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
IUPAC
1,3-diphenylurea
Naptalam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H13 N O3
Molecular Weight
291.30
Accurate Mass
291.0895
SMILES
OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23
InChI
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
IUPAC
2-(naphthalen-1-ylcarbamoyl)benzoic acid
Nereistoxin oxalate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H11 N S2 . C2 H2 O4
Molecular Weight
239.31
Accurate Mass
239.0286
SMILES
CN(C)C1CSSC1.OC(=O)C(=O)O
InChI
InChI=1S/C5H11NS2.C2H2O4/c1-6(2)5-3-7-8-4-5
IUPAC
N,N-dimethyldithiolan-4-amine;oxalic acid
Nitrapyrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl4 N
Molecular Weight
230.91
Accurate Mass
228.902
SMILES
Clc1cccc(n1)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
IUPAC
2-chloro-6-(trichloromethyl)pyridine
Noruron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H22 N2 O
Molecular Weight
222.33
Accurate Mass
222.1732
SMILES
CN(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@@H]3CCC[C@H]23
InChI
InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9+,10+,11-,12+/m0/s1
Orysastrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H25 N5 O5
Molecular Weight
391.42
Accurate Mass
391.1856
SMILES
CNC(=O)\C(=N\OC)\c1ccccc1CO\N=C(/C)\C(=N\OC)\C(=N/OC)\C
InChI
InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12-,21-13+,22-16+,23-17+
IUPAC
(2E)-2-[2-[[(E)-[(3E,4Z)-3,4-bis(methoxyimino)pentan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
Oxycarboxin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H13 N O4 S
Molecular Weight
267.30
Accurate Mass
267.0565
SMILES
CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1
InChI
InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
IUPAC
6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Oxyfluorfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H11 Cl F3 N O4
Molecular Weight
361.70
Accurate Mass
361.0329
SMILES
CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3
IUPAC
2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Pentachlorobenzonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 Cl5 N
Molecular Weight
275.3466
Accurate Mass
272.8473
SMILES
Clc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl
InChI
InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
IUPAC
2,3,4,5,6-pentachlorobenzonitrile
Phosmetoxon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N O5 P S
Molecular Weight
301.26
Accurate Mass
301.0174
SMILES
COP(=O)(OC)SCN1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
IUPAC
2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione
Phospholan-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 N O3 P S2
Molecular Weight
227.24
Accurate Mass
226.984
SMILES
COP(=O)(OC)N=C1SCCS1
InChI
InChI=1S/C5H10NO3PS2/c1-8-10(7,9-2)6-5-11-3-4-12-5/h3-4H2,1-2H3
IUPAC
N-dimethoxyphosphoryl-1,3-dithiolan-2-imine
Piperalin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H21 Cl2 N O2
Molecular Weight
330.25
Accurate Mass
329.0949
SMILES
CC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2
InChI
InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3
IUPAC
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
Prohydrojasmon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O3
Molecular Weight
254.37
Accurate Mass
254.1882
SMILES
CCCCC[C@@H]1[C@@H](CC(=O)OCCC)CCC1=O
InChI
InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
IUPAC
propyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate
Propazine-2-hydroxy
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N5 O
Molecular Weight
211.26
Accurate Mass
211.1433
SMILES
CC(C)Nc1nc(O)nc(NC(C)C)n1
InChI
InChI=1S/C9H17N5O/c1-5(2)10-7-12-8(11-6(3)4)14-9(15)13-7/h5-6H,1-4H3,(H3,10,11,12,13,14,15)
IUPAC
4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-ol
Pyrazoxyfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H16 Cl2 N2 O3
Molecular Weight
403.26
Accurate Mass
402.0538
SMILES
Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c3ccc(Cl)cc3Cl
InChI
InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
IUPAC
2-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone
Pyrethrins
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Pyroquilon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H11 N O
Molecular Weight
173.21
Accurate Mass
173.0841
SMILES
O=C1CCc2cccc3CCN1c23
InChI
InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
Quinmerac
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H8 Cl N O2
Molecular Weight
221.64
Accurate Mass
221.0244
SMILES
Cc1cnc2c(C(=O)O)c(Cl)ccc2c1
InChI
InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
IUPAC
7-chloro-3-methylquinoline-8-carboxylic acid
S-Bioallethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H26 O3
Molecular Weight
302.41
Accurate Mass
302.1882
SMILES
CC(=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)CC=C)C1(C)C)C
InChI
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1
IUPAC
[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
S-Hydroprene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H30 O2
Molecular Weight
266.42
Accurate Mass
266.2246
SMILES
CCOC(=O)\C=C(/C)\C=C\C[C@@H](C)CCCC(C)C
InChI
InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+/t15-/m0/s1
IUPAC
ethyl (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-dienoate
Schradan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H24 N4 O3 P2
Molecular Weight
286.25
Accurate Mass
286.1324
SMILES
CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C
InChI
InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3
IUPAC
N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methylmethanamine
Secbumeton
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 O
Molecular Weight
225.29
Accurate Mass
225.159
SMILES
CCNc1nc(NC(C)CC)nc(OC)n1
InChI
InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
IUPAC
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
Silthiofarm
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H21 N O S Si
Molecular Weight
267.46
Accurate Mass
267.1113
SMILES
Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C
InChI
InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)
IUPAC
4,5-dimethyl-N-prop-2-enyl-2-trimethylsilylthiophene-3-carboxamide
Sulfamonomethoxine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N4 O3 S
Molecular Weight
280.30
Accurate Mass
280.063
SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
InChI
InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
IUPAC
4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
Sulfoxaflor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H10 F3 N3 O S
Molecular Weight
277.27
Accurate Mass
277.0497
SMILES
CC(c1ccc(nc1)C(F)(F)F)S(=O)(=NC#N)C
InChI
InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3
IUPAC
[methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-?^{6}-sulfanylidene]cyanamide
Sulprofos-sulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H19 O3 P S3
Molecular Weight
338.45
Accurate Mass
338.0234
SMILES
CCCSP(=S)(OCC)Oc1ccc(cc1)S(=O)C
InChI
InChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3
IUPAC
ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-?^{5}-phosphane
Terbumeton-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H15 N5 O
Molecular Weight
197.24
Accurate Mass
197.1277
SMILES
COc1nc(N)nc(NC(C)(C)C)n1
InChI
InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
IUPAC
2-N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine
Terbutaline Sulfate
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
2 C12 H19 N O3 . H2 O4 S
Molecular Weight
548.65
Accurate Mass
548.2404
SMILES
CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c2cc(O)cc(O)c2.OS(=O)(=O)O
InChI
InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
IUPAC
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;sulfuric acid
Terbuthylazine-2-hydroxy
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N5 O
Molecular Weight
211.26
Accurate Mass
211.1433
SMILES
CCNc1nc(O)nc(NC(C)(C)C)n1
InChI
InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
IUPAC
4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol
Thiocyclam hydrogenoxalate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H11 N S3 . C2 H2 O4
Molecular Weight
271.38
Accurate Mass
271.0007
SMILES
CN(C)C1CSSSC1.OC(=O)C(=O)O
InChI
InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5
IUPAC
N,N-dimethyltrithian-5-amine;oxalic acid
Thiosultap-sodium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H11 N O6 S4 . 2 Na
Molecular Weight
355.38
Accurate Mass
354.9265
SMILES
[Na+].[Na+].CN(C)C(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-]
InChI
IUPAC
disodium;2-(dimethylamino)-1,3-bis(sulfonatosulfanyl)propane
Tiamulin fumarate
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C28 H47 N O4 S . C4 H4 O4
Molecular Weight
609.81
Accurate Mass
609.3335
SMILES
CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3.OC(=O)\C=C\C(=O)O
InChI
InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24+,25+,26-,27+,28+;/m1./s1
IUPAC
(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy- 4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl [[2-(diethylamino)ethyl]sulfanyl]acetate monofumarate
Triaziflam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H24 F N5 O
Molecular Weight
333.40
Accurate Mass
333.1965
SMILES
CC(COc1cc(C)cc(C)c1)Nc2nc(N)nc(n2)C(C)(C)F
InChI
InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)
IUPAC
4-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
Triazoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl N5 O
Molecular Weight
247.64
Accurate Mass
247.0261
SMILES
[O-][n+]1nc(nc2ccc(Cl)cc12)n3ccnc3
InChI
InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H
IUPAC
7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium
Tridiphane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H7 Cl5 O
Molecular Weight
320.43
Accurate Mass
317.894
SMILES
Clc1cc(Cl)cc(c1)C2(CC(Cl)(Cl)Cl)CO2
InChI
InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2
IUPAC
2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
Trifloxystrobin (free acid)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H17 F3 N2 O4
Molecular Weight
394.34
Accurate Mass
394.114
SMILES
CO\N=C(\C(=O)O)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12+,24-17+
IUPAC
(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
Trinexapac-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H16 O5
Molecular Weight
252.26
Accurate Mass
252.0998
SMILES
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1
InChI
InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-
IUPAC
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
Tris(2-chloro-1-(chloromethyl)ethyl) phosphate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H15 Cl6 O4 P
Molecular Weight
430.90
Accurate Mass
427.8839
SMILES
ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl
InChI
InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
IUPAC
tris(1,3-dichloropropan-2-yl) phosphate
Vamidothion-sulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18 N O5 P S2
Molecular Weight
303.34
Accurate Mass
303.0364
SMILES
CNC(=O)C(C)S(=O)CCSP(=O)(OC)OC
InChI
InChI=1S/C8H18NO5PS2/c1-7(8(10)9-2)17(12)6-5-16-15(11,13-3)14-4/h7H,5-6H2,1-4H3,(H,9,10)
IUPAC
2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)-N-methylpropanamide
Z-Mevinphos (trans-butenoic acid)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H13 O6 P
Molecular Weight
224.15
Accurate Mass
224.045
SMILES
COC(=O)\C=C(\C)/OP(=O)(OC)OC
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-
IUPAC
methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Acetonitrile:Acetone
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