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Substance Name: Triheptylundecanoin
RN: 105214-66-2
UNII: I6065IM227
InChIKey: QPFYLWLAVIDSQI-UHFFFAOYSA-N

Molecular Formula

  • C57-H110-O6

Molecular Weight

  • 891.49
 
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Names and Synonyms

Name of Substance

  • Triheptylundecanoin

Synonyms

  • Triheptylundecanoin
  • Triheptylundecanoin [INCI]
  • Undecanoic acid, 2-heptyl-, 1,1'-(1,2,3-propanetriyl) ester
  • UNII-I6065IM227

Registry Numbers

CAS Registry Number

  • 105214-66-2

FDA UNII

  • I6065IM227

System Generated Number

  • 0105214662

Structure Descriptors

InChI

1S/C57H110O6/c1-7-13-19-25-28-34-40-45-51(43-37-31-22-16-10-4)55(58)61-49-54(63-57(60)53(47-39-33-24-18-12-6)48-42-36-30-27-21-15-9-3)50-62-56(59)52(44-38-32-23-17-11-5)46-41-35-29-26-20-14-8-2/h51-54H,7-50H2,1-6H3

InChIKey

QPFYLWLAVIDSQI-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(CCCCCCC)C(=O)OCC(COC(=O)C(CCCCCCC)CCCCCCCCC)OC(=O)C(CCCCCCC)CCCCCCCCC