Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tetrasodium 2-((8-((((3-((2-chloroethyl)sulphonyl)phenyl)amino)carbonyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate
RN: 94109-42-9
InChIKey: DWOJMZMDRAJSRP-YDXWOSJPSA-J

Molecular Formula

  • C29-H23-Cl-N4-O16-S5.4Na

Molecular Weight

  • 967.2241
 
* 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 302-483-6

Systematic Name

  • Tetrasodium 2-((8-((((3-((2-chloroethyl)sulphonyl)phenyl)amino)carbonyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 94109-42-9

System Generated Number

  • 0094109429

Molecular Formulas

Molecular Formula

  • C29-H23-Cl-N4-O16-S5.4Na

Molecular Formula Fragments

  • C29-H23-Cl-N4-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H23ClN4O16S5.4Na/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44;;;;/h1-8,11-14,35H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4/b34-33+;;;;

InChIKey

DWOJMZMDRAJSRP-YDXWOSJPSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)Nc1cc(ccc1)S(=O)(=O)CCCl)O)S(=O)(=O)[O-]