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Substance Name: Benzoic acid, 4-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-(2-methyl-4-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)
RN: 72245-49-9
InChIKey: ZWLSUPJXSLPRJM-RRJGSHPESA-J

Molecular Formula

  • C35-H26-N6-O14-S3.x-Na

Molecular Weight

  • 938.745
 
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Names and Synonyms

Synonym

  • 3-((4-Carboxyphenyl)azo)-4-hydroxy-7-((((5-hydroxy-6-((2-methyl-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-2-naphthalenesulfonic acid, sodium salt

Systematic Names

  • Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-((2-methyl-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, sodium salt
  • Benzoic acid, 4-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-(2-methyl-4-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 72245-49-9

System Generated Number

  • 0072245499

Molecular Formulas

Molecular Formula

  • C35-H26-N6-O14-S3.x-Na

Molecular Formula Fragments

  • C35-H26-N6-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H26N6O14S3.4Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;;;;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4/b40-38+,41-39+;;;;

InChIKey

ZWLSUPJXSLPRJM-RRJGSHPESA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(c1ccc(cc1)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(cc(cc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-])O)(=O)[O-]