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Substance Name: 9-Octadecenoic acid, 8-sulfo-, 1-butyl ester, sodium salt (1:1), (9Z)-
RN: 68039-10-1
InChIKey: YPAGQTYPCZFMHF-KLSJZZFUSA-M

Molecular Formula

  • C22-H42-O5-S.Na

Molecular Weight

  • 440.617
 
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Names and Synonyms

Synonyms

  • EINECS 268-231-1
  • Pentanoic acid, 8-sulfo-9-octadecene-1-yl ester, sodium salt

Systematic Names

  • 9-Octadecenoic acid, 8-sulfo-, 1-butyl ester, sodium salt (1:1), (9Z)-
  • 9-Octadecenoic acid, 8-sulfo-, 1-butyl ester, sodium salt, (9Z)-
  • Sodium butyl 8-sulphonatooleate

Registry Numbers

CAS Registry Number

  • 68039-10-1

System Generated Number

  • 0068039101

Molecular Formulas

Molecular Formula

  • C22-H42-O5-S.Na

Molecular Formula Fragments

  • C22-H42-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H42O5S.Na/c1-3-5-7-8-9-10-11-14-17-21(28(24,25)26)18-15-12-13-16-19-22(23)27-20-6-4-2;/h14,17,21H,3-13,15-16,18-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b17-14+;

InChIKey

YPAGQTYPCZFMHF-KLSJZZFUSA-M

Smiles

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