propyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyloctanoate

Systemtic Name: propyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyloctanoate Openeye Name: propyl 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyloctanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]octanoic acid propyl ester IUPAC Name: propyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyloctanoate Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]caprylic acid propyl ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCCC)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCC(C(=O)OCCC)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42O3S/c1-9-11-12-13-14-21(23(27)28-15-10-2)29-18-16-19(24(3,4)5)22(26)20(17-18)25(6,7)8/h16-17,21,26H,9-15H2,1-8H3