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Substance Name: Benzoic acid, 5-((4-(2-(2,6-dihydroxy-3-(2-(2-hydroxy-5-(2-(3-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)benzoyl)amino)-2-hydroxy-, sodium salt (1:2)
RN: 69121-14-8
InChIKey: ABTPGIOEJSPPAW-CUNVZCOVSA-L

Molecular Formula

  • C32-H23-N7-O10-S.2Na

Molecular Weight

  • 741.603
 
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Names and Synonyms

Synonym

  • EINECS 273-879-3

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 69121-14-8

System Generated Number

  • 0069121148

Molecular Formulas

Molecular Formula

  • C32-H23-N7-O10-S.2Na

Molecular Formula Fragments

  • C32-H23-N7-O10-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H23N7O10S.2Na/c40-26-11-8-19(15-23(26)32(45)46)33-31(44)17-4-6-18(7-5-17)34-39-29-28(42)13-10-24(30(29)43)37-38-25-16-21(9-12-27(25)41)36-35-20-2-1-3-22(14-20)50(47,48)49;;/h1-16,40-43H,(H,33,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b36-35+,38-37+,39-34+;;

InChIKey

ABTPGIOEJSPPAW-CUNVZCOVSA-L

Smiles

[Na+].[Na+].C(c1c(ccc(c1)NC(c1ccc(cc1)\N=N\c1c(c(ccc1O)\N=N\c1c(ccc(c1)\N=N\c1cc(ccc1)S(=O)(=O)[O-])O)O)=O)O)(=O)[O-]