Products 156963-66-5

CAS 156963-66-5 appears in our catalog under these names: Benzobicyclon, Benzobicyclon 100 µg/mL in Acetonitrile, Benzobicyclon, 98.76%, Benzobicyclon (Standard), Benzobicyclon, Concentration: 100 µg/ml Solvent: Acetonitrile. Offered by: GLPBio, Chemat Brand, TRC, Dr. Ehrenstorfer, TargetMol. Available pack sizes: 5mg, on request, 100mg, 10mg, 1ml, 2mg, 1mg, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-(phenylthio)bicyclo[3.2.1]oct-3-en-2-one is a carbobicyclic compound that is bicyclo[3.2.1]oct-3-en-2-one which is substituted at positions 3 and 4 by 2-chloro-4-(methylsulfonyl)benzoyl and phenylthio groups, respectively. It is an organic sulfide, a sulfone, a carbobicyclic compound, a cyclic ketone, an aromatic ketone and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC22H19ClO4S2
Molecular weight447.0 g/mol
IUPAC name3-(2-chloro-4-methylsulfonylbenzoyl)-4-phenylsulfanylbicyclo[3.2.1]oct-3-en-2-one
InChIKeyVIXCLRUCUMWJFF-UHFFFAOYSA-N
SMILESCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl

Computed by PubChem (NCBI)