[[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] benzenesulfonate

Systemtic Name: [[4-[(3,5-dinitrophenyl)carbonyldiazenyl]phenyl]amino] benzenesulfonate Openeye Name: [4-(3,5-dinitrobenzoyl)azoanilino] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(3,5-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-dinitrobenzoyl)diazenyl]anilino] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(3,5-dinitrobenzoyl)azoanilino] ester Formula: C19H13N5O8S MolecularWeight: 471.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O8S/c25-19(13-10-16(23(26)27)12-17(11-13)24(28)29)21-20-14-6-8-15(9-7-14)22-32-33(30,31)18-4-2-1-3-5-18/h1-12,22H