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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:3)
RN: 85631-88-5
InChIKey: GWAKFAUFNNPZFE-BSEXFYEPSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C34-H27-N9-O11-S3.3Na

Molecular Weight

  • 899.7836
 
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Names and Synonyms

Synonym

  • EINECS 288-038-6

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:3)
  • 2,7-Naphthalenedisulfonic acid,4-amino-3-((4-((4-(2-amino-4-hydroxyphenyl)azo)phenyl)amino)-3-sulfophenyl)-5-hydroxyl-6-(phenylazol)-, trisodium salt
  • Trisodium 4-amino-3-((4-((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85631-88-5

Other Registry Numbers

  • 83046-38-2
  • 877066-61-0

System Generated Number

  • 0085631885

Molecular Formulas

Molecular Formula

  • C34-H27-N9-O11-S3.3Na

Molecular Formula Fragments

  • C34-H27-N9-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b41-38+,42-40+,43-39+;;;

InChIKey

GWAKFAUFNNPZFE-BSEXFYEPSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1ccccc1)O)N)/N=N/c1cc(S(=O)(=O)[O-])c(Nc2ccc(/N=N/c3c(cc(cc3)O)N)cc2)cc1.[Na+].[Na+].[Na+]