Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)
RN: 72102-68-2
InChIKey: FRNXZQMWQFLFJP-YWNBCNSYSA-J

Molecular Formula

  • C35-H26-Cl2-N14-O15-S4.4Na

Molecular Weight

  • 1169.7718
 
* 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

  • 1-(3-((4-Chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 72102-68-2

System Generated Number

  • 0072102682

Molecular Formulas

Molecular Formula

  • C35-H26-Cl2-N14-O15-S4.4Na

Molecular Formula Fragments

  • C35-H26-Cl2-N14-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H26Cl2N14O15S4.4Na/c1-15-22(41-35-45-31(37)44-33(47-35)39-17-5-3-7-20(11-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-23-12-18(8-9-25(23)70(64,65)66)40-34-43-30(36)42-32(46-34)38-16-4-2-6-19(10-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,43,46)(H2,39,41,44,45,47);;;;/q;4*+1/p-4/b49-48+;;;;

InChIKey

FRNXZQMWQFLFJP-YWNBCNSYSA-J

Smiles

Cc1c(cc(cc1N2C(=O)C(C(=N2)C(=O)O)/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4nc(nc(n4)Cl)Nc5cccc(c5)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)Nc7cccc(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]