3-nitro-4-[(4-phenyldiazenylphenyl)amino]benzenesulfonic acid

Systemtic Name: 3-nitro-4-[(4-phenyldiazenylphenyl)amino]benzenesulfonic acid Openeye Name: 3-nitro-4-(4-phenylazoanilino)benzenesulfonic acid CAS Name: 3-nitro-4-(4-phenyldiazenylanilino)benzenesulfonic acid IUPAC Name: 3-nitro-4-(4-phenyldiazenylanilino)benzenesulfonic acid Traditional Name: 3-nitro-4-(4-phenylazoanilino)besylic acid Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-22(24)18-12-16(28(25,26)27)10-11-17(18)19-13-6-8-15(9-7-13)21-20-14-4-2-1-3-5-14/h1-12,19H,(H,25,26,27)