4-[(1E)-3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)-1-Propen-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C24H26O3
IUPAC Name 4-[(e)-3-oxo-3-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
Molecular Mass 362.461 g·mol−1
Heat of Formation -427.6 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 458.16 Å 3
Surface Area 395.35 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
  • 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
  • 4-[(e)-3-keto-3-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
  • 4-[(e)-3-oxo-3-(1,1,4,4-tetramethyl-6-tetralinyl)prop-1-enyl]benzoic acid
  • 4-[(e)-3-oxo-3-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
  • 4-[(e)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
  • 4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
  • benzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-
  • benzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (e)-
  • ch 80
  • ch-80
CAS Number(s)
  • 95906-68-6
  • 110368-35-9
InChIKey ZXQHMEUGMCXKLO-KPKJPENVSA-N
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