Hydrogen sodium 5-oxo-4-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (1:2:1)
[CAS# 84030-06-8]

Identification

• Name: Hydrogen sodium 5-oxo-4-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (1:2:1)
• Synonyms: disodium hydrogen 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1-(3-sulphonatophenyl)-1H-pyrazole-3-carboxylate
• Molecular Formula: C₁₈H₁₄N₄Na₂O₁₂S₃
• Molecular Weight: 620.50
• CAS Registry Number: 84030-06-8
• EINECS: 281-777-5
• SMILES: [H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O)C([O-])=O
• InChI: 1S/C18H16N4O12S3.2Na/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33;;/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
• InChIKey: TXOUIJIHIWFYOF-UHFFFAOYSA-L