Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentasodium 2-((4-chloro-6-((8-hydroxy-3,6-disulphonato-7-((2-sulphonatophenyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate
RN: 94006-25-4
InChIKey: SCENRBSKRSXUQZ-OKMQHXQQSA-I

Molecular Formula

  • C26-H18-Cl-N7-O15-S4.5Na

Molecular Weight

  • 942.0897
 
* 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 301-362-5

Systematic Name

  • Pentasodium 2-((4-chloro-6-((8-hydroxy-3,6-disulphonato-7-((2-sulphonatophenyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate

Registry Numbers

CAS Registry Number

  • 94006-25-4

System Generated Number

  • 0094006254

Molecular Formulas

Molecular Formula

  • C26-H18-Cl-N7-O15-S4.5Na

Molecular Formula Fragments

  • C26-H18-Cl-N7-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18ClN7O15S4.5Na/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46;;;;;/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32);;;;;/q;5*+1/p-5/b34-33+;;;;;

InChIKey

SCENRBSKRSXUQZ-OKMQHXQQSA-I

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3c(cc(S(=O)(=O)[O-])cc3)C(=O)[O-])cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(S(=O)(=O)[O-])cccc1.[Na+].[Na+].[Na+].[Na+].[Na+]