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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO5S/c22-15-7-5-14(6-8-15)19(24)13-28-21(25)18-3-1-2-4-20(18)29-17-11-9-16(10-12-17)23(26)27/h1-12H,13H2