[5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 4-methylsulfonylbenzoate

Systemtic Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] 4-methylsulfonylbenzoate Openeye Name: [5,5-dimethyl-2-(o-tolyl)-3-oxo-cyclohexen-1-yl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [3-keto-5,5-dimethyl-2-(o-tolyl)cyclohexen-1-yl] ester Formula: C23H24O5S MolecularWeight: 412.49866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O5S/c1-15-7-5-6-8-18(15)21-19(24)13-23(2,3)14-20(21)28-22(25)16-9-11-17(12-10-16)29(4,26)27/h5-12H,13-14H2,1-4H3