Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester

CAS Registry Number®

45326-01-0

CAS Name

Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester

Molecular Formula

C71H138O7

Molecular Mass

1103.85

Cite this Page

Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=45326-01-0 (retrieved 2025-01-03) (CAS RN: 45326-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C71H138O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(73)76-65-71(64-72,66-77-69(74)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-78-70(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h72H,4-67H2,1-3H3

InChIKey

InChIKey=VKOJUMXWQCTCFG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester
  • Pentaerythritol tribehenate

Deleted or Replaced CAS Registry Numbers

204269-33-0