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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolylsulfanyl)cyclohexen-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5,5-dimethyl-2-[(4-methylphenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxocyclohexen-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-5,5-dimethyl-2-(p-tolylthio)cyclohexen-1-yl] ester Formula: C25H28O6S MolecularWeight: 456.55122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H28O6S/c1-15-7-9-17(10-8-15)32-23-18(26)13-25(2,3)14-21(23)31-24(27)16-11-19(28-4)22(30-6)20(12-16)29-5/h7-12H,13-14H2,1-6H3