Probucol

Probucol bmse001242 - Data

Probucol synonyms

Wikipedia:

Graphical representations:

Probucol

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Molecular Formula: C31H48O2S2

Natural Isotopic Abundance Mass: 516.84162

Mono-Isotopic Molecular Masses:

  • C12N14: 516.309572776
  • C13N14: 547.413572754
  • C12N15: 516.309572776
  • C13N15: 547.413572754

InChI string: InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

IUPAC: 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol

PubChem Compound (CID): 4912
NSC:

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)