Tetrasodium 7-({6-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-1,3,6-naphthalenetrisulfonate
[CAS# 85959-00-8]

Identification

• Name: Tetrasodium 7-({6-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-1,3,6-naphthalenetrisulfonate
• Synonyms: tetrasodium 7-[[6-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate
• Molecular Formula: C₂₉H₁₆ClN₇Na₄O₁₃S₄
• Molecular Weight: 926.15
• CAS Registry Number: 85959-00-8
• EINECS: 288-989-7
• SMILES: [Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(Nc5ccccc5)n6
• InChI: 1S/C29H20ClN7O13S4.4Na/c30-27-33-28(31-16-4-2-1-3-5-16)35-29(34-27)32-17-6-7-19-14(8-17)11-24(54(48,49)50)25(26(19)38)37-36-21-13-20-15(10-23(21)53(45,46)47)9-18(51(39,40)41)12-22(20)52(42,43)44;;;;/h1-13,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q;4*+1/p-4
• InChIKey: YZDPNAXQESKVNE-UHFFFAOYSA-J