Trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 85631-77-2]

Identification

• Name: Trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₂₇H₁₉ClN₇Na₃O₁₁S₃
• Molecular Weight: 818.10
• CAS Registry Number: 85631-77-2
• EINECS: 288-026-0
• SMILES: [Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5
• InChI: 1S/C27H22ClN7O11S3.3Na/c1-35(15-6-4-3-5-7-15)27-31-25(28)30-26(32-27)29-19-13-17(47(37,38)39)10-14-11-21(49(43,44)45)23(24(36)22(14)19)34-33-18-9-8-16(46-2)12-20(18)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3
• InChIKey: ROOXOSRUUHTHSX-UHFFFAOYSA-K