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

Systemtic Name: disodium 2-azanyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonate Openeye Name: disodium 2-amino-5-(4-sulfophenyl)azo-benzenesulfonate CAS Name: disodium 2-amino-5-(4-sulfophenyl)azobenzenesulfonate IUPAC Name: disodium 2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonate Traditional Name: disodium 2-amino-5-(4-sulfophenyl)azo-besylate Formula: C24H20N6Na2O12S4 MolecularWeight: 758.68814

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

InChI

InChI=1S/2C12H11N3O6S2.2Na/c2*13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;;/h2*1-7H,13H2,(H,16,17,18)(H,19,20,21);;/q;;2*+1/p-2