ethyl 2-(4-methoxyphenyl)sulfanyloctanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfanyloctanoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfanyloctanoate CAS Name: 2-[(4-methoxyphenyl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfanyloctanoate Traditional Name: 2-[(4-methoxyphenyl)thio]caprylic acid ethyl ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-4-6-7-8-9-16(17(18)20-5-2)21-15-12-10-14(19-3)11-13-15/h10-13,16H,4-9H2,1-3H3