sodium 4-[[[4-(4-nitrophenyl)phenyl]amino]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[[4-(4-nitrophenyl)phenyl]amino]diazenyl]benzenesulfonate Openeye Name: sodium 4-[4-(4-nitrophenyl)anilino]azobenzenesulfonate CAS Name: sodium 4-[4-(4-nitrophenyl)anilino]azobenzenesulfonate IUPAC Name: sodium 4-[[4-(4-nitrophenyl)anilino]diazenyl]benzenesulfonate Traditional Name: sodium 4-[4-(4-nitrophenyl)anilino]azobesylate Formula: C18H13N4NaO5S MolecularWeight: 420.37439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NN=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NN=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

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