Hydrogen Sodium 4-({4-[(2-Methoxy-5-{[2-(Sulfonatooxy)Ethyl]Sulfonyl}Phenyl)Carbamoyl]Phenyl}Diazenyl)-5-Oxo-1-(4-Sulfonatophenyl)-4,5-Dihydro-1H-Pyrazole-3-Carboxylate (2:1:1)
[CAS# 21728-37-0]

Identification

• Name: Hydrogen Sodium 4-({4-[(2-Methoxy-5-{[2-(Sulfonatooxy)Ethyl]Sulfonyl}Phenyl)Carbamoyl]Phenyl}Diazenyl)-5-Oxo-1-(4-Sulfonatophenyl)-4,5-Dihydro-1H-Pyrazole-3-Carboxylate (2:1:1)
• Synonyms: sodium dihydrogen 4,5-dihydro-4-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
• Molecular Formula: C₂₆H₂₂N₅NaO₁₄S₃
• Molecular Weight: 747.66
• CAS Registry Number: 21728-37-0
• EINECS: 244-547-5
• SMILES: [H+].[H+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4
• InChI: 1S/C26H23N5O14S3.Na/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);/q;+1/p-1
• InChIKey: VINYUCUCTOZVSO-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)