Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,7-Naphthalenedisulfonic acid, 4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:3)
RN: 113184-24-0
InChIKey: WHGZQBPPEUUKSH-IAXIIBAVSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C21-H16-Cl2-N6-O13-S4.3Na

Molecular Weight

  • 825.5027
 
* 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

  • 1,7-Naphthalenedisulfonic acid, 4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, trisodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 113184-24-0

System Generated Number

  • 0113184240

Molecular Formulas

Molecular Formula

  • C21-H16-Cl2-N6-O13-S4.3Na

Molecular Formula Fragments

  • C21-H16-Cl2-N6-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H16Cl2N6O13S4.3Na/c22-19-25-20(23)27-21(26-19)24-13-5-6-14(44(33,34)35)12-9-15(45(36,37)38)17(18(30)16(12)13)29-28-10-1-3-11(4-2-10)43(31,32)8-7-42-46(39,40)41;;;/h1-6,9,30H,7-8H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,24,25,26,27);;;/q;3*+1/p-3/b29-28+;;;

InChIKey

WHGZQBPPEUUKSH-IAXIIBAVSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(S(=O)(=O)[O-])ccc2Nc2nc(nc(n2)Cl)Cl)c1)O)/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]