Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4-Benzenedisulfonic acid, 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:3)
RN: 41973-82-4
InChIKey: AGFKGCBQQDZVOK-DTBIJOOYSA-K

Molecular Formula

  • C20-H17-Cl-N8-O11-S3.3Na

Molecular Weight

  • 742.997
 
* 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

  • 2-((4-Chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-1,4-benzenedisulfonic acid, trisodium salt
  • EINECS 255-600-7

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-, trisodium salt
  • 1,4-Benzenedisulfonic acid, 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:3)
  • Trisodium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 41973-82-4

System Generated Number

  • 0041973824

Molecular Formulas

Molecular Formula

  • C20-H17-Cl-N8-O11-S3.3Na

Molecular Formula Fragments

  • C20-H17-Cl-N8-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H17ClN8O11S3.3Na/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3/b27-26+;;;

InChIKey

AGFKGCBQQDZVOK-DTBIJOOYSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(cc(c(c1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)OC)S(=O)(=O)[O-]