[2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-methylsulfanylbenzoate Openeye Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(2-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H21ClO3S MolecularWeight: 400.91834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C22H21ClO3S/c1-22(2)12-18(24)20(16-6-4-5-7-17(16)23)19(13-22)26-21(25)14-8-10-15(27-3)11-9-14/h4-11H,12-13H2,1-3H3