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

Systemtic Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3,5-dimethylbenzoate Openeye Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [3-keto-5,5-dimethyl-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C23H23NO5S/c1-14-9-15(2)11-16(10-14)22(26)29-19-13-23(3,4)12-18(25)21(19)30-20-8-6-5-7-17(20)24(27)28/h5-11H,12-13H2,1-4H3