[(4-{[2-(2-Pentyn-1-Yloxy)-4-{[4-(Trifluoromethyl)Phenoxy]Methyl}Phenyl]Sulfanyl}-5,6,7,8-Tetrahydro-1-Naphthalenyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C31H29F3O5S
IUPAC Name 2-[8-[2-pent-2-ynoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyltetralin-5-yl]oxyacetic acid
Molecular Mass 570.619 g·mol−1
Heat of Formation -1115.9 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 649.05 Å 3
Surface Area 521.88 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey SIHDSSYICQEWRS-UHFFFAOYSA-N
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