1-oxidanidyl-2-(4-sulfophenyl)-5-[(4-sulfophenyl)diazenyl]-1,2,3-triazol-1-ium-4-carboxylic acid

Systemtic Name: 1-oxidanidyl-2-(4-sulfophenyl)-5-[(4-sulfophenyl)diazenyl]-1,2,3-triazol-1-ium-4-carboxylic acid Openeye Name: 1-oxido-2-(4-sulfophenyl)-5-(4-sulfophenyl)azo-triazol-1-ium-4-carboxylic acid CAS Name: 1-oxido-2-(4-sulfophenyl)-5-(4-sulfophenyl)azo-4-triazol-1-iumcarboxylic acid IUPAC Name: 1-oxido-2-(4-sulfophenyl)-5-[(4-sulfophenyl)diazenyl]triazol-1-ium-4-carboxylic acid Traditional Name: 1-oxido-2-(4-sulfophenyl)-5-(4-sulfophenyl)azo-triazol-1-ium-4-carboxylic acid Formula: C15H11N5O9S2 MolecularWeight: 469.40594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=[N+](N(N=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=[N+](N(N=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)[O-])S(=O)(=O)O

InChI

InChI=1S/C15H11N5O9S2/c21-15(22)13-14(17-16-9-1-5-11(6-2-9)30(24,25)26)20(23)19(18-13)10-3-7-12(8-4-10)31(27,28)29/h1-8H,(H,21,22)(H,24,25,26)(H,27,28,29)