{[(2R,3S)-3-{[4-Hydroxy-3,5-Bis(2-Methyl-2-Propanyl)Phenyl]Sulfanyl}-2-Butanyl]Oxy}Acetic Acid

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Properties Simple | Detailed

Formula C20H32O4S
IUPAC Name 2-[(1r,2s)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
Molecular Mass 368.531 g·mol−1
Heat of Formation -893.5 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 472.19 Å 3
Surface Area 360.36 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)-1-methylpropoxy)acetic acid
  • 2-[(1r,2s)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
  • 2-[(1r,2s)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-propoxy]acetic acid
  • 2-[(1r,2s)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-methylpropoxy]acetic acid
  • 2-[(2r,3s)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylbutan-2-yl]oxyethanoic acid
  • 2-[(2r,3s)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid
  • sc 45662
  • sc-45662
CAS Number(s)
  • 135133-84-5
  • 137803-61-3
InChIKey ADVNUIUADIXWMI-OLZOCXBDSA-N
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