[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H13Cl2NO5S MolecularWeight: 462.30262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2NO5S/c22-13-5-10-16(18(23)11-13)19(25)12-29-21(26)17-3-1-2-4-20(17)30-15-8-6-14(7-9-15)24(27)28/h1-11H,12H2