Elsibucol

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Properties Simple | Detailed

Formula C35H54O4S2
IUPAC Name 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butanoic acid
Molecular Mass 602.931 g·mol−1
Heat of Formation -1017.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 791.82 Å 3
Surface Area 553.05 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butanoic acid
  • 4-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]thio]phenoxy]butyric acid
  • 4-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-methylethyl]thio]phenoxy]butanoic acid
  • d06582
  • elsibucol (usan)
CAS Number(s)
  • 216167-95-2
InChIKey YHFUPQNXMNMQAK-UHFFFAOYSA-N
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