Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 5-(2-(4-(((4-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
RN: 72829-12-0
InChIKey: IDQIUSUZMLRVBZ-SDWMYVAGSA-L

Molecular Formula

  • C33-H27-N9-O7-S.2Na

Molecular Weight

  • 737.662
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 276-904-6

Systematic Names

  • Benzoic acid, 5-((4-(((4-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt
  • Benzoic acid, 5-(2-(4-(((4-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
  • Disodium 5-((4-(((4-((2,6-diamino-3-methyl-5-((4-sulphonatophenyl)azo)phenyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 72829-12-0

System Generated Number

  • 0072829120

Molecular Formulas

Molecular Formula

  • C33-H27-N9-O7-S.2Na

Molecular Formula Fragments

  • C33-H27-N9-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H27N9O7S.2Na/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46;;/h2-17,43H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-37+,41-38+,42-39+;;

InChIKey

IDQIUSUZMLRVBZ-SDWMYVAGSA-L

Smiles

[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1ccc(cc1)C(=O)Nc1ccc(cc1)\N=N\c1c(c(cc(c1N)\N=N\c1ccc(cc1)S(=O)(=O)[O-])C)N)O)(=O)[O-]