Trisodium 5-({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)-2-naphthalenesulfonate
[CAS# 85750-16-9]

Identification

• Name: Trisodium 5-({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)-2-naphthalenesulfonate
• Synonyms: trisodium 5-[[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]naphthalene-2-sulphonate
• Molecular Formula: C₂₉H₁₇Cl₃N₉Na₃O₁₀S₃
• Molecular Weight: 923.02
• CAS Registry Number: 85750-16-9
• EINECS: 288-542-6
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cccc6Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O
• InChI: 1S/C29H20Cl3N9O10S3.3Na/c1-13-25(26(42)41(40-13)22-11-19(31)24(12-18(22)30)54(49,50)51)39-38-21-10-15(5-8-23(21)53(46,47)48)33-28-35-27(32)36-29(37-28)34-20-4-2-3-14-9-16(52(43,44)45)6-7-17(14)20;;;/h2-12,25H,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,33,34,35,36,37);;;/q;3*+1/p-3
• InChIKey: NQGVOSFNUGKNHU-UHFFFAOYSA-K