[2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(4-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-[(4-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [3-keto-2-[(4-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C26H18F3NO5S MolecularWeight: 513.48503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H18F3NO5S/c27-26(28,29)17-10-8-16(9-11-17)20-4-1-2-5-21(20)25(32)35-23-7-3-6-22(31)24(23)36-19-14-12-18(13-15-19)30(33)34/h1-2,4-5,8-15H,3,6-7H2