4-[(4-azanyl-3-nitro-phenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-3-nitro-phenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(4-amino-3-nitro-anilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(4-amino-3-nitroanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-3-nitroanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(4-amino-3-nitro-anilino)-3-nitro-besylic acid Formula: C12H10N4O7S MolecularWeight: 354.2954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])N

InChI

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