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Substance Name: 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3)
RN: 67969-87-3
InChIKey: FWLOBTCGBAFLDZ-DKZBWMTHSA-K

Molecular Formula

  • C31-H26-N6-O11-S3.3Na

Molecular Weight

  • 820.722
 
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Names and Synonyms

Synonym

  • EINECS 267-989-0

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 7-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)-2-methylphenyl)azo)-, trisodium salt
  • 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 7-((4-((((2-methoxy-4-((3-sulphonatophenyl)azo)phenyl)amino)carbonyl)amino)-o-tolyl)azo)naphthalene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 67969-87-3

System Generated Number

  • 0067969873

Molecular Formulas

Molecular Formula

  • C31-H26-N6-O11-S3.3Na

Molecular Formula Fragments

  • C31-H26-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H26N6O11S3.3Na/c1-18-12-20(8-10-27(18)37-36-22-7-6-19-13-25(50(42,43)44)17-30(26(19)15-22)51(45,46)47)32-31(38)33-28-11-9-23(16-29(28)48-2)35-34-21-4-3-5-24(14-21)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-34+,37-36+;;;

InChIKey

FWLOBTCGBAFLDZ-DKZBWMTHSA-K

Smiles

S(c1cc(S(=O)(=O)[O-])cc2c1cc(\N=N\c1c(cc(NC(Nc3c(cc(\N=N\c4cc(S(=O)(=O)[O-])ccc4)cc3)OC)=O)cc1)C)cc2)(=O)(=O)[O-].[Na+].[Na+].[Na+]