sodium 2-azanyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: sodium 2-azanyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: sodium 2-amino-5-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: sodium 2-amino-5-(4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: sodium 2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: sodium 2-amino-5-(4-sulfophenyl)azo-besylic acid Formula: C12H11N3NaO6S2+ MolecularWeight: 380.35201

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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