Benzobicyclon

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For Research Use Only | Not For Clinical Use
CATAPS156963665
CAS156963-66-5
Structure
IUPAC Name(1S,5R)-3-(2-chloro-4-methylsulfonylbenzoyl)-2-phenylsulfanylbicyclo[3.2.1]oct-2-en-4-one
Molecular Weight446.97
Molecular FormulaC22H19ClO4S2
Canonical SMILESCS(=O)(=O)c1ccc(C(=O)C2=C(Sc3ccccc3)[C@H]4CC[C@H](C4)C2=O)c(Cl)c1
InChIInChI=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
Accurate Mass446.0413
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryHerbicides and metabolites
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