ethyl 2-(4-tert-butylphenyl)sulfanyloctanoate

Systemtic Name: ethyl 2-(4-tert-butylphenyl)sulfanyloctanoate Openeye Name: ethyl 2-(4-tert-butylphenyl)sulfanyloctanoate CAS Name: 2-[(4-tert-butylphenyl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylphenyl)sulfanyloctanoate Traditional Name: 2-[(4-tert-butylphenyl)thio]caprylic acid ethyl ester Formula: C20H32O2S MolecularWeight: 336.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O2S/c1-6-8-9-10-11-18(19(21)22-7-2)23-17-14-12-16(13-15-17)20(3,4)5/h12-15,18H,6-11H2,1-5H3