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Substance Name: Disodium 5-((4-(((4-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylate
RN: 79135-91-4
InChIKey: PNAJMARHSNXBLF-DZZZRWBXSA-L

Molecular Formula

  • C37-H26-N6-O9-S.2Na

Molecular Weight

  • 774.6756
 
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Names and Synonyms

Synonym

  • EINECS 279-092-1

Systematic Name

  • Disodium 5-((4-(((4-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 79135-91-4

System Generated Number

  • 0079135914

Molecular Formulas

Molecular Formula

  • C37-H26-N6-O9-S.2Na

Molecular Formula Fragments

  • C37-H26-N6-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H26N6O9S.2Na/c44-31-17-15-28(20-30(31)37(48)49)42-40-25-8-6-22(7-9-25)36(47)38-24-10-12-26(13-11-24)41-43-33-32(53(50,51)52)19-23-18-27(14-16-29(23)34(33)45)39-35(46)21-4-2-1-3-5-21;;/h1-20,44-45H,(H,38,47)(H,39,46)(H,48,49)(H,50,51,52);;/q;2*+1/p-2/b42-40+,43-41+;;

InChIKey

PNAJMARHSNXBLF-DZZZRWBXSA-L

Smiles

c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(c(c3O)/N=N/c4ccc(cc4)NC(=O)c5ccc(cc5)/N=N/c6ccc(c(c6)C(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]