2-[[4-[(E)-2-[2-[4-[(E)-2-[1-amino-8-hydroxy-7-[(E)-2-phenyldiazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]phenyl]-1H-benzimidazol-6-yl]diazenyl]-3-hydroxyphenyl]amino]-Acetate sodium salt (1:3)
[CAS# 93857-60-4]

Identification

• Name: 2-[[4-[(E)-2-[2-[4-[(E)-2-[1-amino-8-hydroxy-7-[(E)-2-phenyldiazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]phenyl]-1H-benzimidazol-6-yl]diazenyl]-3-hydroxyphenyl]amino]-Acetate sodium salt (1:3)
• Synonyms: trisodium N-[4-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulpho-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-3-hydroxyphenyl]glycinate
• Molecular Formula: C₃₇H₂₇N₁₀Na₃O₁₀S₂
• Molecular Weight: 904.77
• CAS Registry Number: 93857-60-4
• EINECS: 299-196-0
• SMILES: [Na+].[Na+].[Na+].OS(=O)(=O)c7cc2cc(c(/N=N/c1ccccc1)c(O)c2c(N)c7/N=N/c3ccc(cc3)c4nc5ccc(cc5n4)/N=N/c6ccc(NCC([O-])=O)cc6O)S(O)(=O)=O
• InChI: 1S/C37H28N10O10S2.3Na/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-11-24(16-27(25)41-37)44-45-26-13-10-23(17-28(26)48)39-18-31(49)50;;;/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-1/b45-44+,46-43+,47-42+
• InChIKey: CGERCXKIXPEQOB-VJYLTYOASA-M