methyl 3-oxidanylidene-4-(5-phenylpentylsulfanyl)butanoate

Systemtic Name: methyl 3-oxidanylidene-4-(5-phenylpentylsulfanyl)butanoate Openeye Name: methyl 3-oxo-4-(5-phenylpentylsulfanyl)butanoate CAS Name: 3-oxo-4-(5-phenylpentylthio)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-(5-phenylpentylsulfanyl)butanoate Traditional Name: 3-keto-4-(5-phenylpentylthio)butyric acid methyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-19-16(18)12-15(17)13-20-11-7-3-6-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3