1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] didocosanoate

CAS Registry Number®

68258-72-0

CAS Name

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] didocosanoate

Molecular Formula

C49H96O6

Molecular Mass

781.28

Cite this Page

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] didocosanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68258-72-0 (retrieved 2025-01-03) (CAS RN: 68258-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3

InChIKey

InChIKey=WIWNPEDDOAMGGM-UHFFFAOYSA-N

SMILES

C(COC(CCCCCCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCCCCCC)=O)(CO)CO

Canonical SMILES

O=C(OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Docosanoic acid, 1,1′-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
  • Docosanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
  • Docosanoic acid, diester with pentaerythritol
  • 1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] didocosanoate
  • Pentaerythritol dibehenate

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