Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-(2-(4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)
RN: 6442-00-8
InChIKey: NYNDYBLXCWXHKE-DTBIJOOYSA-K

Molecular Formula

  • C24-H17-N5-O9-S3.3Na

Molecular Weight

  • 681.569
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 229-235-9

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)azo)-5-oxo-1-(4-sulfophenyl)-, trisodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-(2-(4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)
  • Trisodium 4,5-dihydro-4-((4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 6442-00-8

System Generated Number

  • 0006442008

Molecular Formulas

Molecular Formula

  • C24-H17-N5-O9-S3.3Na

Molecular Formula Fragments

  • C24-H17-N5-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,18H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b27-26+;;;

InChIKey

NYNDYBLXCWXHKE-DTBIJOOYSA-K

Smiles

c12c(sc(c3ccc(\N=N\[C@@H]4C(=O)N(c5ccc(S(=O)(=O)[O-])cc5)N=C4C(=O)[O-])cc3)n2)c(S(=O)(=O)[O-])c(C)cc1.[Na+].[Na+].[Na+]