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 (1:2:1)
[CAS# 84145-46-0]

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 (1:2:1)
• Synonyms: disodium hydrogen 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: C₂₆H₂₁N₅Na₂O₁₄S₃
• Molecular Weight: 769.64
• CAS Registry Number: 84145-46-0
• EINECS: 282-273-8
• SMILES: [H+].[Na+].[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/C26H23N5O14S3.2Na/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;2*+1/p-2
• InChIKey: HHOMIDGEOXUFNT-UHFFFAOYSA-L