4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)selanylpropan-2-ylsulfanyl]phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)selanylpropan-2-ylsulfanyl]phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)selanyl-1-methyl-ethyl]sulfanyl-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2,6-ditert-butyl-4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)seleno]propan-2-ylthio]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)selanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid Traditional Name: 4-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)seleno]-1-methyl-ethyl]thio]phenoxy]-4-keto-butyric acid Formula: C35H52O5SSe MolecularWeight: 663.80938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)[Se]C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)[Se]C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H52O5SSe/c1-31(2,3)23-19-22(20-24(29(23)39)32(4,5)6)42-35(13,14)41-21-17-25(33(7,8)9)30(26(18-21)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)