methyl 2-phenylsulfanyldecanoate

Systemtic Name: methyl 2-phenylsulfanyldecanoate Openeye Name: methyl 2-phenylsulfanyldecanoate CAS Name: 2-(phenylthio)decanoic acid methyl ester IUPAC Name: methyl 2-phenylsulfanyldecanoate Traditional Name: 2-(phenylthio)capric acid methyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(C(=O)OC)SC1=CC=CC=C1

InChI

InChI=1S/C17H26O2S/c1-3-4-5-6-7-11-14-16(17(18)19-2)20-15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3