Trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(2Z)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)-1,6-dihydro-3(2H)-pyridinylidene]hydrazino}benzenesulfonate
[CAS# 89923-43-3]

Identification

• Name: Trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(2Z)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)-1,6-dihydro-3(2H)-pyridinylidene]hydrazino}benzenesulfonate
• Synonyms: 3-Pyridinemethanesulfonic acid, 5-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, trisodium salt; Trisodium 5-((5-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate
• Molecular Formula: C₂₄H₂₀ClN₈Na₃O₁₁S₃
• Molecular Weight: 797.08
• CAS Registry Number: 89923-43-3
• SMILES: [Na+].[Na+].[Na+].O=C4C(=N/Nc3cc(Nc1nc(nc(Cl)n1)Nc2cccc(c2)S([O-])(=O)=O)ccc3S([O-])(=O)=O)\C(=C(/C(=O)N4CC)CS([O-])(=O)=O)C
• InChI: 1S/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,31H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3/b32-19-
• InChIKey: CBLWUSWKSDLELC-KKUSEUCGSA-K