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Substance Name: Docosanoic acid, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester
RN: 68258-72-0
InChIKey: WIWNPEDDOAMGGM-UHFFFAOYSA-N

Molecular Formula

  • C49-H96-O6

Molecular Weight

  • 781.291
 
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Names and Synonyms

Synonyms

  • EINECS 269-495-0
  • Pentaerythritol dibehenate

Systematic Names

  • 2,2-Bis(hydroxymethyl)propane-1,3-diyl didocosanoate
  • Docosanoic acid, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester
  • Docosanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 68258-72-0

System Generated Number

  • 0068258720

Structure Descriptors

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

WIWNPEDDOAMGGM-UHFFFAOYSA-N

Smiles

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