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

Systemtic Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-keto-5,5-dimethyl-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5S/c1-21(2)12-16(23)19(28-18-11-7-6-10-15(18)22(25)26)17(13-21)27-20(24)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3