1-Butyl 9-(sulfooxy)octadecanoate

CAS Registry Number®

122-53-2

CAS Name

1-Butyl 9-(sulfooxy)octadecanoate

Molecular Formula

C22H44O6S

Molecular Mass

436.65

Cite this Page

1-Butyl 9-(sulfooxy)octadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122-53-2 (retrieved 2024-11-23) (CAS RN: 122-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H44O6S/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2/h21H,3-20H2,1-2H3,(H,24,25,26)

InChIKey

InChIKey=AVTJBWDHTDGIIG-UHFFFAOYSA-N

SMILES

C(CCCCCCCC(OCCCC)=O)(CCCCCCCCC)OS(=O)(=O)O

Canonical SMILES

O=C(OCCCC)CCCCCCCC(OS(=O)(=O)O)CCCCCCCCC

Other Names for this Substance

  • Octadecanoic acid, 9-(sulfooxy)-, 1-butyl ester
  • Octadecanoic acid, 9-hydroxy-, butyl ester, hydrogen sulfate
  • 1-Butyl 9-(sulfooxy)octadecanoate

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