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Substance Name: 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol
RN: 71077-08-2
InChIKey: WBPJBPAZBRMVID-XXAVUKJNSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C18-H34-O2.C7-H14-O2.C5-H12-O4

Molecular Weight

  • 548.796
 
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Names and Synonyms

  • 9-Octadecenoic acid (9Z)-, mixed esters with heptanoic acid and pentaerythritol

Registry Numbers

CAS Registry Number

  • 71077-08-2

System Generated Number

  • 0071077082

Molecular Formulas

Molecular Formula

  • C18-H34-O2.C7-H14-O2.C5-H12-O4

Molecular Formula Fragments

  • C18-H34-O2
  • C5-H12-O4
  • C7-H14-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H34O2.C7H14O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-6H2,1H3,(H,8,9);6-9H,1-4H2/b10-9-;;

InChIKey

WBPJBPAZBRMVID-XXAVUKJNSA-N

Smiles

CCCCCCCC\C=C/CCCCCCCC(=O)O.C(C(CO)(CO)CO)O.C(=O)(CCCCCC)O