GC PestiMix 3 10 µg/mL in Isooctane:Toluene (50:50)
Product Code
DRE-A50000294IT
CAS Number
87 AnalytesProduct Format
Mixture
Solvent
Isooctane:Toluene
Lot Number
2-H494727NA
Expiry
2025-12-23
Product Categories
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Melting Point
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SMILES
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InChI
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IUPAC
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2,4'-DDD
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl4
Molecular Weight
320.04
Accurate Mass
317.9537
SMILES
ClC1=CC=C(C=C1)C(C=2C=CC=CC2Cl)C(Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
2,4'-DDE
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl4
Molecular Weight
318.03
Accurate Mass
315.938
SMILES
ClC(=C(c1ccc(Cl)cc1)c2ccccc2Cl)Cl
InChI
InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
2,4-D-iso-propyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 Cl2 O3
Molecular Weight
263.12
Accurate Mass
262.0163
SMILES
CC(C)OC(=O)COc1ccc(Cl)cc1Cl
InChI
InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
IUPAC
propan-2-yl 2-(2,4-dichlorophenoxy)acetate
4,4'-DDE
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl4
Molecular Weight
318.03
Accurate Mass
315.938
SMILES
ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
InChI
InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Acetamiprid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H11 Cl N4
Molecular Weight
222.67
Accurate Mass
222.0672
SMILES
CN(Cc1ccc(Cl)nc1)\C(=N\C#N)\C
InChI
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
IUPAC
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide
alpha-Endosulfan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H6 Cl6 O3 S
Molecular Weight
406.93
Accurate Mass
403.8169
SMILES
ClC1=C(Cl)[C@@]2(Cl)[C@H]3CO[S@@](=O)OC[C@H]3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
IUPAC
(3a,5aß,6a,9a,9aß)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide
Ametoctradin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H25 N5
Molecular Weight
275.39
Accurate Mass
275.211
SMILES
CCCCCCCCc1c(N)n2ncnc2nc1CC
InChI
InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
IUPAC
5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Atrazine-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H10 Cl N5
Molecular Weight
187.63
Accurate Mass
187.0625
SMILES
CC(C)Nc1nc(N)nc(Cl)n1
InChI
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
IUPAC
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Azoxystrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H17 N3 O5
Molecular Weight
403.39
Accurate Mass
403.1168
SMILES
CO\C=C(\C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
IUPAC
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Benfluralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H16 F3 N3 O4
Molecular Weight
335.28
Accurate Mass
335.1093
SMILES
CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
IUPAC
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Boscalid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12 Cl2 N2 O
Molecular Weight
343.21
Accurate Mass
342.0327
SMILES
Clc1ccc(cc1)c2ccccc2NC(=O)c3cccnc3Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
IUPAC
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Bromuconazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H12 Br Cl2 N3 O
Molecular Weight
377.06
Accurate Mass
374.9541
SMILES
Clc1ccc(c(Cl)c1)C2(Cn3cncn3)CC(Br)CO2
InChI
InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
IUPAC
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
Captafol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H9 Cl4 N O2 S
Molecular Weight
349.06
Accurate Mass
346.9108
SMILES
ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
InChI
InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
IUPAC
2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Captan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H8 Cl3 N O2 S
Molecular Weight
300.59
Accurate Mass
298.9341
SMILES
ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
InChI
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
IUPAC
2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Carbetamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 N2 O3
Molecular Weight
236.27
Accurate Mass
236.1161
SMILES
CCNC(=O)[C@@H](C)OC(=O)Nc1ccccc1
InChI
InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1
IUPAC
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
Carbophenothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H16 Cl O2 P S3
Molecular Weight
342.87
Accurate Mass
341.9739
SMILES
CCOP(=S)(OCC)SCSc1ccc(Cl)cc1
InChI
InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
IUPAC
(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Carfentrazone-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H14 Cl2 F3 N3 O3
Molecular Weight
412.19
Accurate Mass
411.0364
SMILES
CCOC(=O)C(Cl)Cc1cc(N2N=C(C)N(C(F)F)C2=O)c(F)cc1Cl
InChI
InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
IUPAC
ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
Chlorthiophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11H15Cl2O3PS2
Molecular Weight
361.24
Accurate Mass
359.96
SMILES
ClC1=C(OP(OCC)(OCC)=S)C=C(Cl)C(SC)=C1
InChI
InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3
IUPAC
O-(2,5-dichloro-4-(methylthio)phenyl) O,O-diethyl phosphorothioate
cis-Nonachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl9
Molecular Weight
444.22
Accurate Mass
439.7588
SMILES
Cl[C@H]1[C@@H](Cl)[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5+,8-,9+
Clodinafop-propargyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H13 Cl F N O4
Molecular Weight
349.74
Accurate Mass
349.0517
SMILES
C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C
InChI
InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
IUPAC
prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate
Clomazone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 Cl N O2
Molecular Weight
239.70
Accurate Mass
239.0713
SMILES
CC1(C)CON(Cc2ccccc2Cl)C1=O
InChI
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
IUPAC
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Cyanazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H13 Cl N6
Molecular Weight
240.69
Accurate Mass
240.089
SMILES
CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
IUPAC
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Cycloate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H21 N O S
Molecular Weight
215.36
Accurate Mass
215.1344
SMILES
CCSC(=O)N(CC)C1CCCCC1
InChI
InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
IUPAC
S-ethyl N-cyclohexyl-N-ethylcarbamothioate
Cyfluthrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 Cl2 F N O3
Molecular Weight
434.29
Accurate Mass
433.0648
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2
InChI
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
IUPAC
[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Diallate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H17 Cl2 N O S
Molecular Weight
270.22
Accurate Mass
269.0408
SMILES
CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
InChI
InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3
IUPAC
S-(2,3-dichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
Diclobutrazol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H19 Cl2 N3 O
Molecular Weight
328.24
Accurate Mass
327.0905
SMILES
CC(C)(C)[C@H](O)[C@@H](Cc1ccc(Cl)cc1Cl)n2cncn2
InChI
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3/t13-,14-/m1/s1
IUPAC
(2R,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Diclofop methyl
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C16 H14 Cl2 O4
Molecular Weight
341.19
Accurate Mass
340.0269
SMILES
O=C(OC)C(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C
InChI
InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3
IUPAC
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Dicloran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 N2 O2
Molecular Weight
207.01
Accurate Mass
205.965
SMILES
Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
IUPAC
2,6-dichloro-4-nitroaniline
Dioxacarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 N O4
Molecular Weight
223.23
Accurate Mass
223.0845
SMILES
CNC(=O)Oc1ccccc1C2OCCO2
InChI
InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
IUPAC
[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Diphenamid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H17 N O
Molecular Weight
239.31
Accurate Mass
239.131
SMILES
CN(C)C(=O)C(c1ccccc1)c2ccccc2
InChI
InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3
IUPAC
N,N-dimethyl-2,2-diphenylacetamide
Disulfoton
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H19 O2 P S3
Molecular Weight
274.40
Accurate Mass
274.0285
SMILES
CCOP(=S)(OCC)SCCSCC
InChI
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
IUPAC
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-?^{5}-phosphane
Endosulfan-sulfate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H6 Cl6 O4 S
Molecular Weight
422.92
Accurate Mass
419.8118
SMILES
ClC1=C(Cl)[C@@]2(Cl)C3COS(=O)(=O)OCC3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3?,4?,7-,8+
Endrin-aldehyde
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl6 O
Molecular Weight
380.91
Accurate Mass
377.8706
SMILES
ClC1(Cl)[C@]2(Cl)[C@@H]3[C@H](C[C@H]4[C@@H]3[C@]1(Cl)[C@]5(Cl)[C@@H]4[C@]25Cl)C=O
InChI
InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2/t3-,4+,5-,6+,7+,8+,9+,10+,11-/m1/s1
IUPAC
rel-(1R,2R,2aR,4S,4aS,5R,6aR,6bR,7S)-2,2a,3,3,4,7-hexachlorodecahydro-1,2,4-methenocyclopenta[cd]pentalene-5-carboxaldehyde
Esfenvalerate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H22 Cl N O3
Molecular Weight
419.90
Accurate Mass
419.1288
SMILES
CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1
IUPAC
[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
Ethalfluralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H14 F3 N3 O4
Molecular Weight
333.26
Accurate Mass
333.0936
SMILES
CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3
IUPAC
N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Etrimfos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H17 N2 O4 P S
Molecular Weight
292.29
Accurate Mass
292.0647
SMILES
S=P(OC)(OC)OC1=CC(OCC)=NC(CC)=N1
InChI
InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
IUPAC
(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-?^{5}-phosphane
Famoxadone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 N2 O4
Molecular Weight
374.39
Accurate Mass
374.1267
SMILES
CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3
InChI
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
IUPAC
3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
Fenoxycarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H19 N O4
Molecular Weight
301.34
Accurate Mass
301.1314
SMILES
CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChI
InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
IUPAC
ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
Fenpropidin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H31 N
Molecular Weight
273.46
Accurate Mass
273.2457
SMILES
C=1C=C(C=CC1CC(C)CN2CCCCC2)C(C)(C)C
InChI
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
IUPAC
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
Fluazifop-P-butyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H20 F3 N O4
Molecular Weight
383.36
Accurate Mass
383.1344
SMILES
CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
InChI
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
IUPAC
butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Fluchloralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H13 Cl F3 N3 O4
Molecular Weight
355.70
Accurate Mass
355.0547
SMILES
CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3
IUPAC
N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
Flufenacet
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 F4 N3 O2 S
Molecular Weight
363.33
Accurate Mass
363.0665
SMILES
CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2
InChI
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
IUPAC
N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
Flumorph
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 F N O4
Molecular Weight
371.40
Accurate Mass
371.1533
SMILES
COc1ccc(cc1OC)\C(=C\C(=O)N2CCOCC2)\c3ccc(F)cc3
InChI
InChI=1S/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
IUPAC
(E)-3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
Flutolanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 F3 N O2
Molecular Weight
323.31
Accurate Mass
323.1133
SMILES
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChI
InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
IUPAC
N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
Folpet
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H4 Cl3 N O2 S
Molecular Weight
296.56
Accurate Mass
294.9028
SMILES
ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
IUPAC
2-(trichloromethylsulfanyl)isoindole-1,3-dione
Fonofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O P S2
Molecular Weight
246.33
Accurate Mass
246.0302
SMILES
CCOP(=S)(CC)Sc1ccccc1
InChI
InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
IUPAC
ethoxy-ethyl-phenylsulfanyl-sulfanylidene-?^{5}-phosphane
gamma-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Ipconazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H24 Cl N3 O
Molecular Weight
333.86
Accurate Mass
333.1608
SMILES
CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3
InChI
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
IUPAC
2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Isofenphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24 N O4 P S
Molecular Weight
345.39
Accurate Mass
345.1164
SMILES
CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
IUPAC
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
lambda-Cyhalothrin
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C23 H19 Cl F3 N O3
Molecular Weight
449.85
Accurate Mass
449.1
SMILES
CC1(C)[C@H](\C=C(/Cl)\C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1
IUPAC
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Mepronil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H19 N O2
Molecular Weight
269.34
Accurate Mass
269.1416
SMILES
CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1
InChI
InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
IUPAC
2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
Metalaxyl-M
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H21 N O4
Molecular Weight
279.33
Accurate Mass
279.1471
SMILES
COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C
InChI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1
IUPAC
methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
Metazachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 Cl N3 O
Molecular Weight
277.75
Accurate Mass
277.0982
SMILES
Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl
InChI
InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
IUPAC
2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
Methiocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O2 S
Molecular Weight
225.31
Accurate Mass
225.0823
SMILES
CNC(=O)Oc1cc(C)c(SC)c(C)c1
InChI
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
IUPAC
(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
Methoxychlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H15 Cl3 O2
Molecular Weight
345.65
Accurate Mass
344.0138
SMILES
COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
IUPAC
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Metolcarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H11 N O2
Molecular Weight
165.19
Accurate Mass
165.079
SMILES
CNC(=O)Oc1cccc(C)c1
InChI
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
IUPAC
(3-methylphenyl) N-methylcarbamate
Myclobutanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H17 Cl N4
Molecular Weight
288.78
Accurate Mass
288.1142
SMILES
CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
InChI
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
IUPAC
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Oxamyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H13 N3 O3 S
Molecular Weight
219.26
Accurate Mass
219.0678
SMILES
CNC(=O)O\N=C(/SC)\C(=O)N(C)C
InChI
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-
IUPAC
methyl (1Z)-2-(dimethylamino)-N-(methylcarbamoyloxy)-2-oxoethanimidothioate
oxy-Chlordane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H4 Cl8 O
Molecular Weight
423.76
Accurate Mass
419.777
SMILES
Cl[C@@H]1[C@@H]2[C@H]([C@@H]3O[C@]13Cl)[C@]4(Cl)C(=C(Cl)[C@@]2(Cl)C4(Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m0/s1
Paraoxon-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 N O6 P
Molecular Weight
275.20
Accurate Mass
275.0559
SMILES
CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC
diethyl (4-nitrophenyl) phosphate
Parathion-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N O5 P S
Molecular Weight
263.21
Accurate Mass
263.0017
SMILES
COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
IUPAC
dimethoxy-(4-nitrophenoxy)-sulfanylidene-?^{5}-phosphane
PCB No. 209
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 Cl10
Molecular Weight
498.66
Accurate Mass
493.6885
SMILES
Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
Pendimethalin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H19 N3 O4
Molecular Weight
281.31
Accurate Mass
281.1376
SMILES
CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
IUPAC
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
Pentachlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H Cl5
Molecular Weight
250.34
Accurate Mass
247.8521
SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
IUPAC
1,2,3,4,5-pentachlorobenzene
Permethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H20 Cl2 O3
Molecular Weight
391.29
Accurate Mass
390.0789
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
IUPAC
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Perthane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H20 Cl2
Molecular Weight
307.26
Accurate Mass
306.0942
SMILES
CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2
InChI
InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
IUPAC
1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene
Phorate-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H17 O4 P S3
Molecular Weight
292.38
Accurate Mass
292.0027
SMILES
CCOP(=S)(OCC)SCS(=O)(=O)CC
InChI
InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
IUPAC
diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-?^{5}-phosphane
Piperonyl butoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H30 O5
Molecular Weight
338.44
Accurate Mass
338.2093
SMILES
CCCCOCCOCCOCc1cc2OCOc2cc1CCC
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
IUPAC
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Pirimicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H18 N4 O2
Molecular Weight
238.29
Accurate Mass
238.143
SMILES
CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
IUPAC
[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate
Pirimiphos-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H24 N3 O3 P S
Molecular Weight
333.39
Accurate Mass
333.1276
SMILES
CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC
InChI
InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
IUPAC
4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
Pretilachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H26 Cl N O2
Molecular Weight
311.85
Accurate Mass
311.1652
SMILES
CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
IUPAC
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Prometon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 O
Molecular Weight
225.29
Accurate Mass
225.159
SMILES
COc1nc(NC(C)C)nc(NC(C)C)n1
InChI
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
IUPAC
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Propamocarb free base
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H20 N2 O2
Molecular Weight
188.27
Accurate Mass
188.1525
SMILES
CCCOC(=O)NCCCN(C)C
InChI
InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
IUPAC
propyl N-[3-(dimethylamino)propyl]carbamate
Propanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H9 Cl2 N O
Molecular Weight
218.08
Accurate Mass
217.0061
SMILES
CCC(=O)Nc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
IUPAC
N-(3,4-dichlorophenyl)propanamide
Propham
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 N O2
Molecular Weight
179.22
Accurate Mass
179.0946
SMILES
CC(C)OC(=O)Nc1ccccc1
InChI
InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
IUPAC
propan-2-yl N-phenylcarbamate
Propoxur
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O3
Molecular Weight
209.24
Accurate Mass
209.1052
SMILES
CNC(=O)Oc1ccccc1OC(C)C
InChI
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
IUPAC
(2-propan-2-yloxyphenyl) N-methylcarbamate
Pyraclofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 Cl N2 O3 P S
Molecular Weight
360.80
Accurate Mass
360.0464
SMILES
CCCSP(=O)(OCC)Oc1cnn(c1)c2ccc(Cl)cc2
InChI
InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
IUPAC
1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole
Pyraclostrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H18 Cl N3 O4
Molecular Weight
387.82
Accurate Mass
387.0986
SMILES
CON(C(=O)OC)c1ccccc1COc2ccn(n2)c3ccc(Cl)cc3
InChI
InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
IUPAC
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
Pyridaben
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H25 Cl N2 O S
Molecular Weight
364.93
Accurate Mass
364.1376
SMILES
CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C
InChI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
IUPAC
2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one
Quinalphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N2 O3 P S
Molecular Weight
298.30
Accurate Mass
298.0541
SMILES
CCOP(=S)(OCC)Oc1cnc2ccccc2n1
InChI
InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
IUPAC
diethoxy-quinoxalin-2-yloxy-sulfanylidene-?^{5}-phosphane
S-Metolachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H22 Cl N O2
Molecular Weight
283.79
Accurate Mass
283.1339
SMILES
CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl
InChI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
IUPAC
2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
Simetryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H15 N5 S
Molecular Weight
213.30
Accurate Mass
213.1048
SMILES
CCNc1nc(NCC)nc(SC)n1
InChI
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
IUPAC
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Spiromesifen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C23 H30 O4
Molecular Weight
370.48
Accurate Mass
370.2144
SMILES
Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1
InChI
InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
IUPAC
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate
Terbuthylazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 Cl N5
Molecular Weight
229.71
Accurate Mass
229.1094
SMILES
CCNc1nc(Cl)nc(NC(C)(C)C)n1
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
IUPAC
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Thiazopyr
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H17 F5 N2 O2 S
Molecular Weight
396.38
Accurate Mass
396.0931
SMILES
COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F
InChI
InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3
IUPAC
methyl 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate
Trichloronate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12 Cl3 O2 P S
Molecular Weight
333.60
Accurate Mass
331.9361
SMILES
CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
IUPAC
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-?^{5}-phosphane
Trifloxystrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H19 F3 N2 O4
Molecular Weight
408.37
Accurate Mass
408.1297
SMILES
CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
IUPAC
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Isooctane:Toluene
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