{[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Sulfanyl}Acetic Acid

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Properties Simple | Detailed

Formula C17H28O2S
IUPAC Name 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylacetic acid
Molecular Mass 296.468 g·mol−1
Heat of Formation -473.0 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 413.68 Å 3
Surface Area 327.52 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)acetic acid
  • 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)ethanoic acid
  • 2-(3,7,11-trimethyldodeca-2,6,10-trienylthio)acetic acid
  • 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylacetic acid
  • 2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethanoic acid
  • 2-[[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]acetic acid
  • bio1_000056
  • bio1_000545
  • bio1_001034
  • bio2_000054
  • bio2_000534
  • cbiol_001770
InChIKey GNWWFEVBHYESNK-XGGJEREUSA-N
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