3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-(4-methylphenyl)sulfanyl-bicyclo[3.2.1]oct-2-en-4-one

Systemtic Name: 3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-(4-methylphenyl)sulfanyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 3-(2-chloro-4-methylsulfonyl-benzoyl)-2-(p-tolylsulfanyl)bicyclo[3.2.1]oct-2-en-4-one CAS Name: 3-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-2-[(4-methylphenyl)thio]-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 3-(2-chloro-4-methylsulfonylbenzoyl)-2-(4-methylphenyl)sulfanylbicyclo[3.2.1]oct-2-en-4-one Traditional Name: 3-(2-chloro-4-mesyl-benzoyl)-2-(p-tolylthio)bicyclo[3.2.1]oct-2-en-4-one Formula: C23H21ClO4S2 MolecularWeight: 460.99344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)C3CCC2C3)C(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)C3CCC2C3)C(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C23H21ClO4S2/c1-13-3-7-16(8-4-13)29-23-15-6-5-14(11-15)21(25)20(23)22(26)18-10-9-17(12-19(18)24)30(2,27)28/h3-4,7-10,12,14-15H,5-6,11H2,1-2H3