Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenesulfonic acid, 4-(4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:?)
RN: 62121-76-0
InChIKey: JDPMQBDNRSLOKS-ZPZFBZIMSA-L

Molecular Formula

  • C20-H22-N4-O12-S3.x-Na

Molecular Weight

  • 650.572
 
* 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

  • Benzenesulfonic acid, 4-(4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt
  • EINECS 263-418-4

Systematic Names

  • 4-(4-((2,5-Dimethoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, sodium salt
  • Benzenesulfonic acid, 4-(4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt
  • Benzenesulfonic acid, 4-(4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 62121-76-0

System Generated Number

  • 0062121760

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O12-S3.x-Na

Molecular Formula Fragments

  • C20-H22-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H22N4O12S3.2Na/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b22-21+;;

InChIKey

JDPMQBDNRSLOKS-ZPZFBZIMSA-L

Smiles

[Na+].[Na+].c1(ccc(cc1)N1N=C([C@@H](C1=O)\N=N\c1c(cc(c(c1)OC)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C)S(=O)(=O)[O-]