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

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Formula C24H28O2S2
IUPAC Name 4-[2-(1,1,4,4-tetramethyltetralin-6-yl)-1,3-dithiolan-2-yl]benzoic acid
Molecular Mass 412.608 g·mol−1
Heat of Formation -325.8 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 497.06 Å 3
Surface Area 389.96 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-(1,3)dithiolan-2-yl)benzoic acid
  • 4-[2-(1,1,4,4-tetramethyl-6-tetralinyl)-1,3-dithiolan-2-yl]benzoic acid
  • 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]benzoic acid
  • benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1,3-dithiolan-2-yl)-
  • sr 11234
  • sr-11234
CAS Number(s)
  • 146670-37-3
InChIKey NWFLPURWUQNLIV-UHFFFAOYSA-N
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