Pentasodium 5-[(4-Chloro-6-{[5-({4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-2-Sulfonatophenyl]Amino}-1,3,5-Triazin-2-Yl)Amino]-4-Hydroxy-3-[(2-Sulfonatophenyl)Diazenyl]-2,7-Naphth Alenedisulfonate
[CAS# 6058-62-4]

Identification

• Name: Pentasodium 5-[(4-Chloro-6-{[5-({4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-2-Sulfonatophenyl]Amino}-1,3,5-Triazin-2-Yl)Amino]-4-Hydroxy-3-[(2-Sulfonatophenyl)Diazenyl]-2,7-Naphth Alenedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt
• Molecular Formula: C₃₄H₁₉Cl₂N₁₂Na₅O₁₆S₅
• Molecular Weight: 1197.77
• CAS Registry Number: 6058-62-4
• EINECS: 227-986-7
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)ccc6S([O-])(=O)=O)n7
• InChI: 1S/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5
• InChIKey: ZRCJIGDQHDCZMJ-UHFFFAOYSA-I