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Substance Name: Pentasodium 5-((4-((3-((((4-((3-carboxylato-4-oxidophenyl)azo)phenyl)amino)carbonyl)amino)benzoyl)amino)-5-methoxy-2-tolyl)azo)-2-oxido-3-sulphonatobenzoate
RN: 94231-86-4
InChIKey: CNZXLXKZCCBFKW-XNCKFJQWSA-I

Molecular Formula

  • C36-H29-N7-O12-S.5Na

Molecular Weight

  • 893.6386
 
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Names and Synonyms

Synonym

  • EINECS 303-908-8

Systematic Name

  • Pentasodium 5-((4-((3-((((4-((3-carboxylato-4-oxidophenyl)azo)phenyl)amino)carbonyl)amino)benzoyl)amino)-5-methoxy-2-tolyl)azo)-2-oxido-3-sulphonatobenzoate

Registry Numbers

CAS Registry Number

  • 94231-86-4

System Generated Number

  • 0094231864

Molecular Formulas

Molecular Formula

  • C36-H29-N7-O12-S.5Na

Molecular Formula Fragments

  • C36-H29-N7-O12-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H29N7O12S.5Na/c1-18-12-28(30(55-2)17-27(18)43-42-24-15-26(35(49)50)32(45)31(16-24)56(52,53)54)39-33(46)19-4-3-5-22(13-19)38-36(51)37-20-6-8-21(9-7-20)40-41-23-10-11-29(44)25(14-23)34(47)48;;;;;/h3-17,44-45H,1-2H3,(H,39,46)(H,47,48)(H,49,50)(H2,37,38,51)(H,52,53,54);;;;;/q;5*+1/p-5/b41-40+,43-42+;;;;;

InChIKey

CNZXLXKZCCBFKW-XNCKFJQWSA-I

Smiles

Cc1cc(c(cc1/N=N/c2cc(c(c(c2)S(=O)(=O)[O-])[O-])C(=O)[O-])OC)NC(=O)c3cccc(c3)NC(=O)Nc4ccc(cc4)/N=N/c5ccc(c(c5)C(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]