trisodium 3-oxidanyl-2-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: trisodium 3-oxidanyl-2-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-3,4-dihydropyrazole-5-carboxylate Openeye Name: trisodium 3-hydroxy-2-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-3,4-dihydropyrazole-5-carboxylate CAS Name: trisodium 3-hydroxy-2-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-3,4-dihydropyrazole-5-carboxylate IUPAC Name: trisodium 3-hydroxy-2-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-3,4-dihydropyrazole-5-carboxylate Traditional Name: trisodium 5-hydroxy-1-(4-sulfonatophenyl)-4-(4-sulfonatophenyl)azo-2-pyrazoline-3-carboxylate Formula: C16H11N4Na3O9S2 MolecularWeight: 536.37925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(N(N=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(N(N=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H14N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13,15,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3