[2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-1-phenyl-ethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate CAS Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid [2-keto-2-(4-methoxyphenyl)-1-phenyl-ethyl] ester Formula: C28H20N2O8S MolecularWeight: 544.532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H20N2O8S/c1-37-21-14-11-18(12-15-21)26(31)27(19-7-3-2-4-8-19)38-28(32)22-9-5-6-10-24(22)39-25-16-13-20(29(33)34)17-23(25)30(35)36/h2-17,27H,1H3