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Substance Name: EINECS 279-466-4
RN: 80435-40-1
InChIKey: QWSXZGZWNAIGNA-VXEFGMLISA-M

Molecular Formula

  • C34-H29-N11-O6.Na

Molecular Weight

  • 709.656
 
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Names and Synonyms

Results Name

  • EINECS 279-466-4

Synonym

  • EINECS 279-466-4

Systematic Names

  • Benzoic acid, 2-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-((3-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxybenzoyl)amino)-, monosodium salt
  • Benzoic acid, 2-(2-(1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-5-((3-(2-(1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-4-hydroxybenzoyl)amino)-, sodium salt (1:1)
  • Sodium 2-(1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-((3-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxybenzoyl)anthranilate

Registry Numbers

CAS Registry Number

  • 80435-40-1

System Generated Number

  • 0080435401

Molecular Formulas

Molecular Formula

  • C34-H29-N11-O6.Na

Molecular Formula Fragments

  • C34-H29-N11-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H29N11O6.Na/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24;/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51);/q;+1/p-1/b40-38+,41-39+;

InChIKey

QWSXZGZWNAIGNA-VXEFGMLISA-M

Smiles

[Na+].C(c1c(ccc(c1)NC(c1cc(c(cc1)O)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)N)C)=O)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)N)C)(=O)[O-]