tert-butyl 6,8-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]octanoate

Systemtic Name: tert-butyl 6,8-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]octanoate Openeye Name: tert-butyl 6,8-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]octanoate CAS Name: 6,8-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]octanoic acid tert-butyl ester IUPAC Name: tert-butyl 6,8-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]octanoate Traditional Name: 6,8-bis[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]caprylic acid tert-butyl ester Formula: C42H68O4S2 MolecularWeight: 701.11692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(CCCCC(=O)OC(C)(C)C)SCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(CCCCC(=O)OC(C)(C)C)SCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C42H68O4S2/c1-38(2,3)31-22-28(23-32(36(31)44)39(4,5)6)26-47-21-20-30(18-16-17-19-35(43)46-42(13,14)15)48-27-29-24-33(40(7,8)9)37(45)34(25-29)41(10,11)12/h22-25,30,44-45H,16-21,26-27H2,1-15H3