methyl 4-oxidanylidene-5-(phenylmethylsulfanyl)hexanoate

Systemtic Name: methyl 4-oxidanylidene-5-(phenylmethylsulfanyl)hexanoate Openeye Name: methyl 5-benzylsulfanyl-4-oxo-hexanoate CAS Name: 4-oxo-5-(phenylmethylthio)hexanoic acid methyl ester IUPAC Name: methyl 5-benzylsulfanyl-4-oxohexanoate Traditional Name: 5-(benzylthio)-4-keto-hexanoic acid methyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCC(=O)OC)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)CCC(=O)OC)SCC1=CC=CC=C1

InChI

InChI=1S/C14H18O3S/c1-11(13(15)8-9-14(16)17-2)18-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3