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

Systemtic Name: 4-[2,6-ditert-butyl-4-[3,5-ditert-butyl-4-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-phenyl]selanylsulfanyl-phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,6-ditert-butyl-4-[3,5-ditert-butyl-4-(4-hydroxy-4-oxo-butanoyl)oxy-phenyl]selanylsulfanyl-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2,6-ditert-butyl-4-[[[3,5-ditert-butyl-4-(4-hydroxy-1,4-dioxobutoxy)phenyl]seleno]thio]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,6-ditert-butyl-4-[3,5-ditert-butyl-4-(4-hydroxy-4-oxobutanoyl)oxyphenyl]selanylsulfanylphenoxy]-4-oxobutanoic acid Traditional Name: 4-[2,6-ditert-butyl-4-[[[3,5-ditert-butyl-4-(4-hydroxy-4-keto-butanoyl)oxy-phenyl]seleno]thio]phenoxy]-4-keto-butyric acid Formula: C36H50O8SSe MolecularWeight: 721.8024

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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)OC(=O)CCC(=O)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)OC(=O)CCC(=O)O)C(C)(C)C

InChI

InChI=1S/C36H50O8SSe/c1-33(2,3)23-17-21(18-24(34(4,5)6)31(23)43-29(41)15-13-27(37)38)45-46-22-19-25(35(7,8)9)32(26(20-22)36(10,11)12)44-30(42)16-14-28(39)40/h17-20H,13-16H2,1-12H3,(H,37,38)(H,39,40)