Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
RN: 68399-88-2
InChIKey: QMDPJAHMESDXOK-IMVLJIQESA-N

Molecular Formula

  • C21-H13-Cl2-N7-O10-S2

Molecular Weight

  • 658.411
 
* 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

Synonym

  • EINECS 269-995-9

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
  • 4-((4-(((3,6-Dichloropyridazin-4-yl)carbonyl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 68399-88-2

System Generated Number

  • 0068399882

Structure Descriptors

InChI

1S/C21H13Cl2N7O10S2/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40)/b27-25+

InChIKey

QMDPJAHMESDXOK-IMVLJIQESA-N

Smiles

Clc1nnc(Cl)cc1C(=O)Nc1ccc(\N=N\[C@@H]2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)c(S(=O)(=O)O)c1