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

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Formula C24H26O5
IUPAC Name 4-[(z)-1-hydroxy-3-(7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-yl)-3-oxo-prop-1-enyl]benzoic acid
Molecular Mass 394.460 g·mol−1
Heat of Formation -825.9 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 474.87 Å 3
Surface Area 401.25 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1-hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
  • 4-[(z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxo-prop-1-enyl]benzoic acid
  • 4-[(z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
  • 4-[(z)-1-hydroxy-3-(7-hydroxy-1,1,4,4-tetramethyl-6-tetralinyl)-3-oxoprop-1-enyl]benzoic acid
  • 4-[(z)-1-hydroxy-3-(7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-yl)-3-keto-prop-1-enyl]benzoic acid
  • 4-[(z)-1-hydroxy-3-(7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-yl)-3-oxo-prop-1-enyl]benzoic acid
  • benzoic acid, 4-(1-hydroxy-3-oxo-3-(5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (z)-
  • re 80
  • re-80
CAS Number(s)
  • 116193-60-3
InChIKey PZYFNWUXYUMHGR-UYRXBGFRSA-N
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