[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO5S/c24-20(16-11-13-18(14-12-16)23(26)27)15-28-22(25)21(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-14,21H,15H2