Trisodium 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(2-Methyl-4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Diazenyl-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate
[CAS# 72829-26-6]

Identification

• Name: Trisodium 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(2-Methyl-4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Diazenyl-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate
• Synonyms: Trisodium 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(2-Methyl-4-Sulfonato-Phenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Trisodium 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(2-Methyl-4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Trisodium 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(2-Methyl-4-Sulfonato-Phenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₆H₁₇Cl₃N₉Na₃O₁₀S₃
• Molecular Weight: 886.98
• CAS Registry Number: 72829-26-6
• EINECS: 276-913-5
• SMILES: C5=C(N4N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC2=NC(=NC(=N2)NC3=CC=C([S]([O-])(=O)=O)C=C3C)Cl)C4=O)C)C(=CC(=C5Cl)[S]([O-])(=O)=O)Cl.[Na+].[Na+].[Na+]
• InChI: 1S/C26H20Cl3N9O10S3.3Na/c1-11-7-14(49(40,41)42)4-5-17(11)31-26-33-24(29)32-25(34-26)30-13-3-6-20(50(43,44)45)18(8-13)35-36-22-12(2)37-38(23(22)39)19-9-16(28)21(10-15(19)27)51(46,47)48;;;/h3-10,22H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,30,31,32,33,34);;;/q;3*+1/p-3
• InChIKey: NMXIYULPLGQHTR-UHFFFAOYSA-K