methyl 3-oxidanylidene-4-(6-phenylhexylsulfanyl)butanoate

Systemtic Name: methyl 3-oxidanylidene-4-(6-phenylhexylsulfanyl)butanoate Openeye Name: methyl 3-oxo-4-(6-phenylhexylsulfanyl)butanoate CAS Name: 3-oxo-4-(6-phenylhexylthio)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-(6-phenylhexylsulfanyl)butanoate Traditional Name: 3-keto-4-(6-phenylhexylthio)butyric acid methyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C17H24O3S/c1-20-17(19)13-16(18)14-21-12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3