Benzobicyclon
Product Code
DRE-C10536800
CAS Number
Product Format
Neat
Lot Number
G1496078
Expiry
2030-08-30
Molecular Formula
C22 H19 Cl O4 S2
Molecular Weight
446.97
Product Categories
Dr. Ehrenstorfer, Herbicides and metabolites, Herbicides and metabolites
Documentation
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Product Information
Analyte Data
Analyte Name
Benzobicyclon
CAS Number
156963-66-5
Molecular Formula
C22 H19 Cl O4 S2
Molecular Weight
446.97
Accurate Mass
446.0413
SMILES
CS(=O)(=O)c1ccc(C(=O)C2=C(Sc3ccccc3)[C@H]4CC[C@H](C4)C2=O)c(Cl)c1
InChI
InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3/t13-,14+/m1/s1
IUPAC
(1S,5R)-3-(2-chloro-4-methylsulfonylbenzoyl)-2-phenylsulfanylbicyclo[3.2.1]oct-2-en-4-one
Product Data
Storage Temperature
+20°C
Shipping Temperature
+20°C
Country of Origin
GERMANY
Tariff Code
29309098
Product Format
Neat
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