Succinobucol
4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
Molecular Identity
Succinobucol
4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
PubChem CID: 216325
Succinobucol is a member of phenols and a benzoate ester.
2D Structure
Properties
C35H52O5S2
Molecular Formula
616.90
Molecular Weight
g/mol
616.3256
Exact Mass
Da
10.9
XLogP
Above Lipinski threshold
134
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
870
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)CIsomeric SMILES
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)CSynonyms(20)
Succinobucol216167-82-7AGI 1067J1J54V24R4DTXSID101760034-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-4-oxobutanoic acidsuccinobucolum4-(2,6-di-tert-butyl-4-((2-((3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl)propan-2-yl)sulfanyl)phenoxy)-4-oxobutanoic acidRefChem:186353DTXCID3098494AGI-10674-(2,6-di-tert-butyl-4-((2-((3,5-di-tert-butyl-4-hydroxyphenyl)thio)propan-2-yl)thio)phenoxy)-4-oxobutanoic acidProbucol MonosuccinateProbucol monosuccinae4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
Data from PubChem (NCBI)
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