Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:?)
RN: 85536-88-5
InChIKey: DOBSNRLRWWJBIU-ZRUFZDNISA-K

Molecular Formula

  • C20-H20-N4-O14-S3.x-Na

Molecular Weight

  • 702.536
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt
  • EINECS 287-575-3

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:?)
  • 4-((2,5-Dimethoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85536-88-5

System Generated Number

  • 0085536885

Molecular Formulas

Molecular Formula

  • C20-H20-N4-O14-S3.x-Na

Molecular Formula Fragments

  • C20-H20-N4-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H20N4O14S3.3Na/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32;;;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b22-21+;;;

InChIKey

DOBSNRLRWWJBIU-ZRUFZDNISA-K

Smiles

[Na+].[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1c(cc(c(c1)OC)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]