[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO5S/c1-15-6-8-16(9-7-15)20(24)14-28-22(25)19-4-2-3-5-21(19)29-18-12-10-17(11-13-18)23(26)27/h2-13H,14H2,1H3