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Substance Name: Benzoic acid, 5-(2-(3-(2-(5-(2-(4-(((4-(2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)-4-hydroxyphenyl)diazenyl)-2-hydroxy-, sodium salt (1:1)
RN: 70210-44-5
InChIKey: VSEKOCDXVJGRLR-HOPOZUMASA-M

Molecular Formula

  • C36-H27-N11-O8.Na

Molecular Weight

  • 763.66
 
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Names and Synonyms

Synonym

  • EINECS 274-441-4

Systematic Names

  • Benzoic acid, 5-((3-((5-((4-(((4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)-2-hydroxy-, monosodium salt
  • Benzoic acid, 5-(2-(3-(2-(5-(2-(4-(((4-(2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)-4-hydroxyphenyl)diazenyl)-2-hydroxy-, sodium salt (1:1)
  • Sodium 5-((3-((5-((4-(((4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 70210-44-5

System Generated Number

  • 0070210445

Molecular Formulas

Molecular Formula

  • C36-H27-N11-O8.Na

Molecular Formula Fragments

  • C36-H27-N11-O8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H27N11O8.Na/c1-18-33(35(53)47-38-18)46-40-22-8-6-20(7-9-22)37-34(52)19-2-4-21(5-3-19)39-43-27-16-28(32(51)17-31(27)50)45-44-26-15-24(11-13-30(26)49)42-41-23-10-12-29(48)25(14-23)36(54)55;/h2-17,33,48-51H,1H3,(H,37,52)(H,47,53)(H,54,55);/q;+1/p-1/b42-41+,43-39+,45-44+,46-40+;

InChIKey

VSEKOCDXVJGRLR-HOPOZUMASA-M

Smiles

[Na+].C(c1c(ccc(c1)\N=N\c1cc(c(cc1)O)\N=N\c1c(cc(c(c1)\N=N\c1ccc(cc1)C(=O)Nc1ccc(cc1)\N=N\[C@@H]1C(=NNC1=O)C)O)O)O)(=O)[O-]