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Substance Name: Benzoic acid, 5-(2-(4-((4-(2-(6-((4-amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
RN: 72152-67-1
InChIKey: GTOPKYLHZFSSLQ-AVKGXOGNSA-L

Molecular Formula

  • C39-H31-N7-O9-S.2Na

Molecular Weight

  • 817.744
 
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Names and Synonyms

Synonym

  • EINECS 276-420-5

Systematic Names

  • Benzoic acid, 5-((4-((4-((6-((4-amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-methylbenzoyl)amino)phenyl)azo)-2-hydroxy-, disodium salt
  • Benzoic acid, 5-(2-(4-((4-(2-(6-((4-amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
  • Disodium 5-((4-((4-((6-((4-amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 72152-67-1

System Generated Number

  • 0072152671

Molecular Formulas

Molecular Formula

  • C39-H31-N7-O9-S.2Na

Molecular Formula Fragments

  • C39-H31-N7-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H31N7O9S.2Na/c1-20-15-22(3-12-31(20)40)38(50)42-27-9-11-29-24(17-27)18-34(56(53,54)55)35(36(29)48)46-45-32-13-4-23(16-21(32)2)37(49)41-25-5-7-26(8-6-25)43-44-28-10-14-33(47)30(19-28)39(51)52;;/h3-19,47-48H,40H2,1-2H3,(H,41,49)(H,42,50)(H,51,52)(H,53,54,55);;/q;2*+1/p-2/b44-43+,46-45+;;

InChIKey

GTOPKYLHZFSSLQ-AVKGXOGNSA-L

Smiles

[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1ccc(cc1)NC(c1cc(c(cc1)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])NC(c1cc(c(cc1)N)C)=O)O)C)=O)O)(=O)[O-]