Sodium hydrogen 2-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfonatobenzoate (3:1 :1)
[CAS 93778-50-8]

Identification

• Name: Sodium hydrogen 2-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfonatobenzoate (3:1 :1)
• Synonyms: trisodium hydrogen 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate
• Molecular Formula: C₂₆H₁₅Cl₃N₉Na₃O₁₂S₃
• Molecular Weight: 916.97
• CAS Registry Number: 93778-50-8
• EINECS: 298-187-9
• SMILES: [H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O
• InChI: 1S/C26H18Cl3N9O12S3.3Na/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;/q;3*+1/p-3
• InChIKey: MFAZCIICUPWTEK-UHFFFAOYSA-K