propyl 2-(3,5-ditert-butylphenyl)sulfanyloctanoate

Systemtic Name: propyl 2-(3,5-ditert-butylphenyl)sulfanyloctanoate Openeye Name: propyl 2-(3,5-ditert-butylphenyl)sulfanyloctanoate CAS Name: 2-[(3,5-ditert-butylphenyl)thio]octanoic acid propyl ester IUPAC Name: propyl 2-(3,5-ditert-butylphenyl)sulfanyloctanoate Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]caprylic acid propyl ester Formula: C25H42O2S MolecularWeight: 406.66478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O2S/c1-9-11-12-13-14-22(23(26)27-15-10-2)28-21-17-19(24(3,4)5)16-20(18-21)25(6,7)8/h16-18,22H,9-15H2,1-8H3