disodium 2-azanyl-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate

Systemtic Name: disodium 2-azanyl-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate Openeye Name: disodium 2-amino-5-(4-sulfonatophenyl)azo-benzenesulfonate CAS Name: disodium 2-amino-5-(4-sulfonatophenyl)azobenzenesulfonate IUPAC Name: disodium 2-amino-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate Traditional Name: disodium 2-amino-5-(4-sulfonatophenyl)azo-besylate Formula: C12H9N3Na2O6S2 MolecularWeight: 401.3259

Click to see the large picture

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+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O6S2.2Na/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;2*+1/p-2