methyl 3-oxidanylidene-5-(phenylsulfinyl)pentanoate

Systemtic Name: methyl 3-oxidanylidene-5-(phenylsulfinyl)pentanoate Openeye Name: methyl 5-(benzenesulfinyl)-3-oxo-pentanoate CAS Name: 5-(benzenesulfinyl)-3-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(benzenesulfinyl)-3-oxopentanoate Traditional Name: 5-(benzenesulfinyl)-3-keto-valeric acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CCS(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CCS(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14O4S/c1-16-12(14)9-10(13)7-8-17(15)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3