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Substance Name: Benzoic acid, 5-(2-(4-(((4-(2-(4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)-3-methylphenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:3)
RN: 70224-85-0
InChIKey: JSZDBIRIGCNSNS-DEVFTOEVSA-K

Molecular Formula

  • C39-H31-N7-O11-S2.3Na

Molecular Weight

  • 903.79
 
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Names and Synonyms

Synonyms

  • 5-((4-(((4-((4-((1,5-Disulfo-3-naphthalenyl)azo)-3-methylphenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid, trisodium salt
  • EINECS 274-456-6

Systematic Names

  • Benzoic acid, 5-((4-(((4-((4-((4,8-disulfo-2-naphthalenyl)azo)-3-methylphenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, trisodium salt
  • Benzoic acid, 5-(2-(4-(((4-(2-(4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)-3-methylphenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:3)
  • Trisodium 5-((4-(((4-((4-((4,8-disulphonato-2-naphthyl)azo)-3-methylphenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)phenylazo)salicylate

Registry Numbers

CAS Registry Number

  • 70224-85-0

System Generated Number

  • 0070224850

Molecular Formulas

Molecular Formula

  • C39-H31-N7-O11-S2.3Na

Molecular Formula Fragments

  • C39-H31-N7-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H31N7O11S2.3Na/c1-21-15-25(11-13-31(21)45-44-27-18-29-28(37(19-27)59(54,55)56)5-4-6-36(29)58(51,52)53)43-46-32-20-35(57-3)33(16-22(32)2)40-38(48)23-7-9-24(10-8-23)41-42-26-12-14-34(47)30(17-26)39(49)50;;;/h4-20,47H,1-3H3,(H,40,48)(H,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b42-41+,45-44+,46-43+;;;

InChIKey

JSZDBIRIGCNSNS-DEVFTOEVSA-K

Smiles

[Na+].[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1ccc(cc1)C(=O)Nc1c(cc(c(c1)C)\N=N\c1cc(c(cc1)\N=N\c1cc2c(cccc2c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])C)OC)O)(=O)[O-]