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Substance Name: Sodium 3-((5-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)anilino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonate
RN: 85188-21-2
InChIKey: MZAKYBFUIJWZPG-MANGQQFLSA-M

Molecular Formula

  • C29-H23-N9-O8-S.Na

Molecular Weight

  • 679.6038
 
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Names and Synonyms

Synonym

  • EINECS 286-212-6

Systematic Names

  • Benzenesulfonic acid, 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-hydroxy-, monosodium salt
  • Sodium 3-((5-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)anilino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonate

Registry Numbers

CAS Registry Number

  • 85188-21-2

System Generated Number

  • 0085188212

Molecular Formulas

Molecular Formula

  • C29-H23-N9-O8-S.Na

Molecular Formula Fragments

  • C29-H23-N9-O8-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H23N9O8S.Na/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39;/h2-14,27,39-41H,1H3,(H,30,42)(H,38,43)(H,44,45,46);/q;+1/p-1/b34-32+,36-35+,37-33+;

InChIKey

MZAKYBFUIJWZPG-MANGQQFLSA-M

Smiles

CC1=NNC(=O)C1/N=N/c2ccc(cc2)NC(=O)c3ccc(cc3)/N=N/c4cc(c(cc4O)O)/N=N/c5cc(ccc5O)S(=O)(=O)[O-].[Na+]