Camobucol

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Properties Simple | Detailed

Formula C33H50O4S2
IUPAC Name 2-[2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenoxy]acetic acid
Molecular Mass 574.878 g·mol−1
Heat of Formation -950.4 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 743.93 Å 3
Surface Area 508.7 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]ethanoic acid
  • 2-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]thio]phenoxy]acetic acid
  • 2-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-methylethyl]thio]phenoxy]acetic acid
  • camobucol (usan)
  • d06570
CAS Number(s)
  • 216167-92-9
InChIKey FGBGXESDYFKUFX-UHFFFAOYSA-N
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