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

Systemtic Name: 4-[(4-aminophenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-aminoanilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-aminoanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-aminoanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-aminoanilino)-3,5-dinitro-besylic acid Formula: C12H10N4O7S MolecularWeight: 354.2954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O7S/c13-7-1-3-8(4-2-7)14-12-10(15(17)18)5-9(24(21,22)23)6-11(12)16(19)20/h1-6,14H,13H2,(H,21,22,23)