[5,5-dimethyl-3-oxidanylidene-2-(phenylsulfonylmethyl)cyclohexen-1-yl] 4-methylbenzoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-2-(phenylsulfonylmethyl)cyclohexen-1-yl] 4-methylbenzoate Openeye Name: [2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(benzenesulfonylmethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(besylmethyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H24O5S MolecularWeight: 412.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24O5S/c1-16-9-11-17(12-10-16)22(25)28-21-14-23(2,3)13-20(24)19(21)15-29(26,27)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3