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

Systemtic Name: 4-[2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)selanylsulfanyl-phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)selanylsulfanyl-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)seleno]thio]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)selanylsulfanylphenoxy]-4-oxobutanoic acid Traditional Name: 4-[2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)seleno]thio]phenoxy]-4-keto-butyric acid Formula: C32H46O5SSe MolecularWeight: 621.72964

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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)S[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)S[Se]C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C32H46O5SSe/c1-29(2,3)21-17-20(18-22(27(21)36)30(4,5)6)39-38-19-15-23(31(7,8)9)28(24(16-19)32(10,11)12)37-26(35)14-13-25(33)34/h15-18,36H,13-14H2,1-12H3,(H,33,34)