3-[3-(2-Carboxyethyl)-4-{[(5E)-6-(4-Methoxyphenyl)-5-Hexen-1-Yl]Oxy}Benzoyl]Benzoic Acid

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Properties Simple | Detailed

Formula C30H30O7
IUPAC Name 3-[3-(2-carboxyethyl)-4-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]benzoyl]benzoic acid
Molecular Mass 502.555 g·mol−1
Heat of Formation -986.4 ± 16.7 kJ·mol−1
Dipole Moment 1.39 ± 1.08 D
Volume 610.08 Å 3
Surface Area 540.42 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-(2-carboxyethyl)-4-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]carbonylbenzoic acid
  • 3-[[3-(2-carboxyethyl)-4-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]-oxomethyl]benzoic acid
  • 5-(3-carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid
  • benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-, (e)-
  • cgs 23131
  • ly 223982
  • ly 233978 disodium salt
  • ly-223982
  • pdsp1_000574
  • pdsp2_000572
  • sk&f 107324
  • skf 107324
CAS Number(s)
  • 117423-74-2
InChIKey SYZSSLLFRVDRHL-QPJJXVBHSA-N
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Elements H C O