3,5-dinitro-4-[phenyl(phenylazanyl)amino]benzenesulfonic acid

Systemtic Name: 3,5-dinitro-4-[phenyl(phenylazanyl)amino]benzenesulfonic acid Openeye Name: 4-(N-anilinoanilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(N-anilinoanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(N-anilinoanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(N-anilinoanilino)-3,5-dinitro-besylic acid Formula: C18H14N4O7S MolecularWeight: 430.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O7S/c23-21(24)16-11-15(30(27,28)29)12-17(22(25)26)18(16)20(14-9-5-2-6-10-14)19-13-7-3-1-4-8-13/h1-12,19H,(H,27,28,29)