Trisodium 4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonate
[CAS# 84000-62-4]

Identification

• Name: Trisodium 4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonate
• Synonyms: Trisodium 4-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonate; Trisodium 4-[[4-Chloro-6-[[3-(2-Sulfatoethylsulfonyl)Phenyl]Amino]-S-Triazin-2-Yl]Amino]-2-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonate
• Molecular Formula: C₂₇H₂₁ClN₉Na₃O₁₃S₄
• Molecular Weight: 912.18
• CAS Registry Number: 84000-62-4
• EINECS: 281-617-4
• SMILES: C3=C(NC1=NC(=NC(=N1)Cl)NC2=CC(=CC=C2)[S](=O)(=O)CCO[S]([O-])(=O)=O)C=CC(=C3N=NC4C(=O)N(N=C4C)C5=CC=C([S]([O-])(=O)=O)C=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H24ClN9O13S4.3Na/c1-15-23(24(38)37(36-15)18-6-8-19(9-7-18)52(41,42)43)35-34-21-14-17(5-10-22(21)53(44,45)46)30-27-32-25(28)31-26(33-27)29-16-3-2-4-20(13-16)51(39,40)12-11-50-54(47,48)49;;;/h2-10,13-14,23H,11-12H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,29,30,31,32,33);;;/q;3*+1/p-3
• InChIKey: XZLLBKAMQLLLGF-UHFFFAOYSA-K