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Substance Name: Trisodium 4-amino-3-((4-((4-((4-amino-2-hydroxyphenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
RN: 94249-18-0
InChIKey: OFZZVFUDMGQBEL-BSEXFYEPSA-K

Molecular Formula

  • C34-H27-N9-O11-S3.3Na

Molecular Weight

  • 899.7836
 
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Names and Synonyms

Synonym

  • EINECS 304-392-7

Systematic Name

  • Trisodium 4-amino-3-((4-((4-((4-amino-2-hydroxyphenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 94249-18-0

System Generated Number

  • 0094249180

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/c35-19-6-12-24(26(44)16-19)41-38-22-9-7-20(8-10-22)37-25-13-11-23(17-27(25)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)43-39-21-4-2-1-3-5-21;;;/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

OFZZVFUDMGQBEL-BSEXFYEPSA-K

Smiles

c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(c(c4)S(=O)(=O)[O-])Nc5ccc(cc5)/N=N/c6ccc(cc6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]