(5Z)-7-{3-[(Hexylsulfanyl)Methyl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Formula C20H34O3S
IUPAC Name (e)-7-[(1r,2r,3r,4s)-3-(hexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 354.547 g·mol−1
Heat of Formation -717.9 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 478.5 Å 3
Surface Area 381.42 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
InChIKey YHSIOGBAMKKEDO-UGYLWHJMSA-N
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