methyl 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethylsulfanyl]butanoate Openeye Name: methyl 4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethylsulfanyl]butanoate CAS Name: 4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethylsulfanyl]butanoate Traditional Name: 4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethylthio]butyric acid methyl ester Formula: C21H34O3S2 MolecularWeight: 398.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCSCCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCSCCCC(=O)OC

InChI

InChI=1S/C21H34O3S2/c1-20(2,3)16-13-15(14-17(19(16)23)21(4,5)6)26-12-11-25-10-8-9-18(22)24-7/h13-14,23H,8-12H2,1-7H3