Hydrogen sodium 4-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (1:2:1)
[CAS# 85005-98-7]

Identification

• Name: Hydrogen sodium 4-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (1:2:1)
• Synonyms: disodium hydrogen 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
• Molecular Formula: C₂₀H₁₈N₄Na₂O₁₃S₃
• Molecular Weight: 664.55
• CAS Registry Number: 85005-98-7
• EINECS: 285-028-3
• SMILES: [H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O
• InChI: 1S/C20H20N4O13S3.2Na/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32;;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
• InChIKey: AHNAALUPKGWIBU-UHFFFAOYSA-L