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Substance Name: 2-Naphthalenesulfonic acid, 3-(2-(2,4-dimethylphenyl)diazenyl)-4-hydroxy-7-((((5-hydroxy-7-sulfo-6-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenyl)amino)carbonyl)amino)-, sodium salt (1:3)
RN: 67923-64-2
InChIKey: DERGVYIYJYGKCV-JVQXNHMDSA-K

Molecular Formula

  • C39-H30-N6-O12-S3.3Na

Molecular Weight

  • 936.84
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-7-((((5-hydroxy-6-((2,4-dimethylphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-2-naphthalenesulfonic acid, trisodium salt
  • EINECS 267-780-4

Systematic Names

  • 2-Naphthalenesulfonic acid, 3-((2,4-dimethylphenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulfo-6-((6-sulfo-2-naphthalenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-, trisodium salt
  • 2-Naphthalenesulfonic acid, 3-(2-(2,4-dimethylphenyl)diazenyl)-4-hydroxy-7-((((5-hydroxy-7-sulfo-6-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenyl)amino)carbonyl)amino)-, sodium salt (1:3)
  • Trisodium 3-((2,4-dimethylphenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((6-sulphonato-2-naphthyl)azo)-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 67923-64-2

System Generated Number

  • 0067923642

Molecular Formulas

Molecular Formula

  • C39-H30-N6-O12-S3.3Na

Molecular Formula Fragments

  • C39-H30-N6-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H30N6O12S3.3Na/c1-20-3-12-32(21(2)13-20)43-45-36-34(60(55,56)57)19-25-16-27(8-11-31(25)38(36)47)41-39(48)40-26-7-10-30-24(15-26)18-33(59(52,53)54)35(37(30)46)44-42-28-6-4-23-17-29(58(49,50)51)9-5-22(23)14-28;;;/h3-19,46-47H,1-2H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3/b44-42+,45-43+;;;

InChIKey

DERGVYIYJYGKCV-JVQXNHMDSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2ccc(cc12)NC(=O)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1cc2ccc(cc2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])O)\N=N\c1c(cc(cc1)C)C)S(=O)(=O)[O-]