[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 2,4-dinitrobenzoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 2,4-dinitrobenzoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1,3-diphenylprop-1-enyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [3-keto-2-[(2-nitrophenyl)thio]-1,3-diphenyl-prop-1-enyl] ester Formula: C28H17N3O9S MolecularWeight: 571.51428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H17N3O9S/c32-25(18-9-3-1-4-10-18)27(41-24-14-8-7-13-22(24)30(36)37)26(19-11-5-2-6-12-19)40-28(33)21-16-15-20(29(34)35)17-23(21)31(38)39/h1-17H