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

Systemtic Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[(4-bromophenyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[(4-bromophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H25BrO6S MolecularWeight: 521.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C24H25BrO6S/c1-24(2)12-17(26)22(32-16-8-6-15(25)7-9-16)20(13-24)31-23(27)14-10-18(28-3)21(30-5)19(11-14)29-4/h6-11H,12-13H2,1-5H3