Sodium Trihydrogen 4,5-Dihydro-5-Oxo-4-[(3-Phosphonatophenyl)Azo]-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 68133-29-9]

Identification

• Name: Sodium Trihydrogen 4,5-Dihydro-5-Oxo-4-[(3-Phosphonatophenyl)Azo]-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: Sodium 4-[3-Carboxy-5-Oxo-4-(3-Phosphonophenyl)Azo-4H-Pyrazol-1-Yl]Benzenesulfonate; Sodium 4-[3-Carboxy-5-Keto-4-(3-Phosphonophenyl)Azo-4H-Pyrazol-1-Yl]Benzenesulfonate; 1H-Pyrazole-3-Carboxylic Acid, 4,5-Dihydro-5-Oxo-4-((3-Phosphonophenyl)Azo)-1-(4-Sulfophenyl)-, Monosodium Salt
• Molecular Formula: C₁₆H₁₂N₄NaO₉PS
• Molecular Weight: 490.32
• CAS Registry Number: 68133-29-9
• EINECS: 268-673-5
• SMILES: C3=C(N2N=C(C(N=NC1=CC=CC(=C1)[P](=O)(O)O)C2=O)C(=O)O)C=CC(=C3)[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C16H13N4O9PS.Na/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);/q;+1/p-1
• InChIKey: XQCKBVYUAFMPIN-UHFFFAOYSA-M