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Substance Name: Acetic acid, 2-((4-(2-(4-(2-(4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)phenyl)amino)-2-oxo-, sodium salt (1:3)
RN: 68400-56-6
InChIKey: GLGOIULIXYAJLJ-QGBJLJEXSA-K

Molecular Formula

  • C38-H25-N7-O13-S3.3Na

Molecular Weight

  • 949.7958
 
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Names and Synonyms

Synonyms

  • 1-Naphthalenesulfonic acid, 3-((4-((4-((4-N-carboxycarbonylaminophenyl)azo)-6-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-4-hydroxy-, trisodium salt
  • EINECS 270-046-6

Systematic Names

  • Acetic acid, ((4-((4-((4-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)phenyl)amino)oxo-, trisodium salt
  • Acetic acid, 2-((4-(2-(4-(2-(4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)phenyl)amino)-2-oxo-, sodium salt (1:3)
  • Trisodium hydrogen ((4-((4-((4-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)phenyl)amino)oxoacetate

Registry Numbers

CAS Registry Number

  • 68400-56-6

System Generated Number

  • 0068400566

Molecular Formulas

Molecular Formula

  • C38-H25-N7-O13-S3.3Na

Molecular Formula Fragments

  • C38-H25-N7-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H25N7O13S3.3Na/c46-36-27-4-2-1-3-26(27)35(61(56,57)58)19-34(36)45-43-31-14-16-33(29-18-23(60(53,54)55)10-12-25(29)31)44-42-30-13-15-32(28-17-22(59(50,51)52)9-11-24(28)30)41-40-21-7-5-20(6-8-21)39-37(47)38(48)49;;;/h1-19,46H,(H,39,47)(H,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b41-40+,44-42+,45-43+;;;

InChIKey

GLGOIULIXYAJLJ-QGBJLJEXSA-K

Smiles

c1ccc2c(c1)c(cc(c2O)/N=N/c3ccc(c4c3ccc(c4)S(=O)(=O)[O-])/N=N/c5ccc(c6c5ccc(c6)S(=O)(=O)[O-])/N=N/c7ccc(cc7)NC(=O)C(=O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]