(5E)-5-[(2E)-4,7-Dihydroxy-2-Hepten-1-Ylidene]-4-Hydroxy-2-(Methylsulfanyl)-4-(4-Phenoxybutyl)-2-Cyclopenten-1-One

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Properties Simple | Detailed

Formula C23H30O5S
IUPAC Name (4r,5e)-5-[(e,4s)-4,7-dihydroxyhept-2-enylidene]-4-hydroxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
Molecular Mass 418.546 g·mol−1
Heat of Formation -729.4 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 529.22 Å 3
Surface Area 380.62 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey TTYCPWCOWCUKKS-FRRLKSHYSA-N
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