sodium 4-[(4-azanyl-3-sulfo-phenyl)diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[(4-azanyl-3-sulfo-phenyl)diazenyl]benzenesulfonate Openeye Name: sodium 4-(4-amino-3-sulfo-phenyl)azobenzenesulfonate CAS Name: sodium 4-(4-amino-3-sulfophenyl)azobenzenesulfonate IUPAC Name: sodium 4-[(4-amino-3-sulfophenyl)diazenyl]benzenesulfonate Traditional Name: sodium 4-(4-amino-3-sulfo-phenyl)azobesylate Formula: C12H10N3NaO6S2 MolecularWeight: 379.34407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O6S2.Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);/q;+1/p-1