Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Octadecanoic acid, 10-hydroxy-9-sulfo-, butyl ester, sodium salt (1:1)
RN: 68516-72-3
InChIKey: FOFVFERIDNIUBU-UHFFFAOYSA-M

Molecular Formula

  • C22-H44-O6-S.Na

Molecular Weight

  • 458.632
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 271-175-0

Systematic Names

  • Octadecanoic acid, 10-hydroxy-9-sulfo-, 1-butyl ester, monosodium salt
  • Octadecanoic acid, 10-hydroxy-9-sulfo-, butyl ester, sodium salt (1:1)
  • Sodium 1-butyl 10-hydroxy-9-sulphonatooctadecanoate

Registry Numbers

CAS Registry Number

  • 68516-72-3

System Generated Number

  • 0068516723

Molecular Formulas

Molecular Formula

  • C22-H44-O6-S.Na

Molecular Formula Fragments

  • C22-H44-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H44O6S.Na/c1-3-5-7-8-10-13-16-20(23)21(29(25,26)27)17-14-11-9-12-15-18-22(24)28-19-6-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1

InChIKey

FOFVFERIDNIUBU-UHFFFAOYSA-M

Smiles

S(=O)(=O)([O-])[C@@H](CCCCCCCC(=O)OCCCC)[C@@H](O)CCCCCCCC.[Na+]