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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [3-keto-2-[(2-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=CC=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=CC=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)17-14-12-16(13-15-17)18-6-1-2-7-19(18)25(32)35-22-10-5-9-21(31)24(22)36-23-11-4-3-8-20(23)30(33)34/h1-4,6-8,11-15H,5,9-10H2