Sodium hydrogen 4-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(1-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}benzoate (3:1:1)
[CAS# 70776-19-1]

Identification

• Name: Sodium hydrogen 4-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(1-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}benzoate (3:1:1)
• Synonyms: trisodium hydrogen 4-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzoate
• Molecular Formula: C₃₀H₁₇ClN₇Na₃O₁₂S₃
• Molecular Weight: 868.11
• CAS Registry Number: 70776-19-1
• EINECS: 274-867-0
• SMILES: [H+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)C([O-])=O)n6
• InChI: 1S/C30H20ClN7O12S3.3Na/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50;;;/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3
• InChIKey: LDAJEGCAUAHDAT-UHFFFAOYSA-K