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

Systemtic Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5,5-dimethyl-2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-5,5-dimethyl-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C24H25NO8S MolecularWeight: 487.5222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C24H25NO8S/c1-24(2)12-16(26)22(34-20-9-7-6-8-15(20)25(28)29)19(13-24)33-23(27)14-10-17(30-3)21(32-5)18(11-14)31-4/h6-11H,12-13H2,1-5H3