N-{2-[4-Hydroxy-3-(~125~I)Iodophenyl]Ethyl}-6-{4-[(3E)-4-(4-Hydroxyphenyl)-3-Hexen-3-Yl]Phenoxy}Hexanamide

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Properties Simple | Detailed

Formula C32H40INO4
IUPAC Name 6-[4-[(e)-1-ethyl-2-(4-oxocyclohexa-2,5-dien-1-yl)but-1-enyl]phenoxy]-n-[2-(5-iodo-4-oxo-cyclohex-2-en-1-yl)ethyl]hexanamide
Molecular Mass 629.569 g·mol−1
Heat of Formation -528.9 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 691.15 Å 3
Surface Area 594.33 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • hexanamide, 6-(4-(1-ethyl-2-(4-hydroxyphenyl)-1-butenyl)phenoxy)-n-(2-(4-hydroxy-3-(iodo-125i)phenyl)ethyl)-, (e)-
  • hipdsha
  • n-(4'-hydroxy-3'-(125i)iodophenethyl)-6-(4-o-diethylstilbestryl)hexanamide
  • n-(4'-hydroxy-3'-iodophenethyl)-6-(4-o-diethylstilbestryl)hexanamide
CAS Number(s)
  • 140683-97-2
InChIKey MJKWBAVJMPZEJN-HMIJFBHYSA-N
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