12-[[(9Z)-1-Oxo-9-hexadecen-1-yl]oxy]octadecanoic acid

CAS Registry Number®

2042646-31-9
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CAS Name

12-[[(9Z)-1-Oxo-9-hexadecen-1-yl]oxy]octadecanoic acid

Molecular Formula

C34H64O4

Molecular Mass

536.87

Cite this Page

12-[[(9Z)-1-Oxo-9-hexadecen-1-yl]oxy]octadecanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2042646-31-9 (retrieved 2024-08-10) (CAS RN: 2042646-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C34H64O4/c1-3-5-7-9-10-11-12-13-14-15-20-23-27-31-34(37)38-32(28-24-8-6-4-2)29-25-21-18-16-17-19-22-26-30-33(35)36/h11-12,32H,3-10,13-31H2,1-2H3,(H,35,36)/b12-11-

InChIKey

InChIKey=XSYATLPMKFNWBI-QXMHVHEDNA-N

SMILES

C(OC(CCCCCCC/C=C\CCCCCC)=O)(CCCCCCCCCCC(O)=O)CCCCCC

Canonical SMILES

O=C(O)CCCCCCCCCCC(OC(=O)CCCCCCCC=CCCCCCC)CCCCCC

Other Names for this Substance

  • Octadecanoic acid, 12-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-
  • 12-[[(9Z)-1-Oxo-9-hexadecen-1-yl]oxy]octadecanoic acid
  • 12-POHSA