trisodium 5-oxidanylidene-4-[(4-sulfophenyl)diazenyl]pyrazolidine-3-carboxylic acid

Systemtic Name: trisodium 5-oxidanylidene-4-[(4-sulfophenyl)diazenyl]pyrazolidine-3-carboxylic acid Openeye Name: trisodium 5-oxo-4-(4-sulfophenyl)azo-pyrazolidine-3-carboxylic acid CAS Name: trisodium 5-oxo-4-(4-sulfophenyl)azo-3-pyrazolidinecarboxylic acid IUPAC Name: trisodium 5-oxo-4-[(4-sulfophenyl)diazenyl]pyrazolidine-3-carboxylic acid Traditional Name: trisodium 5-keto-4-(4-sulfophenyl)azo-pyrazolidine-3-carboxylic acid Formula: C10H10N4Na3O6S+3 MolecularWeight: 383.24391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(NNC2=O)C(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(NNC2=O)C(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H10N4O6S.3Na/c15-9-7(8(10(16)17)13-14-9)12-11-5-1-3-6(4-2-5)21(18,19)20;;;/h1-4,7-8,13H,(H,14,15)(H,16,17)(H,18,19,20);;;/q;3*+1