4-amino-6-[2-[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxy-3-[2-[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-Naphthalenedisulfonate sodium salt (1:4)
[CAS# 80294-29-7]

Identification

• Name: 4-amino-6-[2-[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxy-3-[2-[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-Naphthalenedisulfonate sodium salt (1:4)
• Synonyms: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt
• Molecular Formula: C₃₄H₂₅Cl₂N₁₀Na₄O₁₆S₅
• Molecular Weight: 1152.81
• CAS Registry Number: 80294-29-7
• EINECS: 279-444-4
• SMILES: [Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccccc1S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5ccc(C)c(Cl)c5)n6
• InChI: 1S/C34H28Cl2N10O16S5.4Na/c1-16-6-7-18(14-20(16)35)38-33-40-32(36)41-34(42-33)39-19-8-9-24(64(50,51)52)22(15-19)44-46-30-26(66(56,57)58)13-17-12-25(65(53,54)55)29(28(37)27(17)31(30)47)45-43-21-4-2-3-5-23(21)63(48,49)11-10-62-67(59,60)61;;;;/h2-9,12-15,47H,10-11,37H2,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42);;;;/q;4*+1/p-3
• InChIKey: QIOZADQXFJCGOU-UHFFFAOYSA-K