[5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-methylsulfinylbenzoate

Systemtic Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-methylsulfinylbenzoate Openeye Name: [5,5-dimethyl-2-(o-tolyl)-3-oxo-cyclohexen-1-yl] 2-methylsulfinylbenzoate CAS Name: 2-methylsulfinylbenzoic acid [5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 2-methylsulfinylbenzoate Traditional Name: 2-methylsulfinylbenzoic acid [3-keto-5,5-dimethyl-2-(o-tolyl)cyclohexen-1-yl] ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)OC(=O)C3=CC=CC=C3S(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)OC(=O)C3=CC=CC=C3S(=O)C

InChI

InChI=1S/C23H24O4S/c1-15-9-5-6-10-16(15)21-18(24)13-23(2,3)14-19(21)27-22(25)17-11-7-8-12-20(17)28(4)26/h5-12H,13-14H2,1-4H3