methyl 4-oxidanylidene-5-(phenylsulfonyl)pentanoate

Systemtic Name: methyl 4-oxidanylidene-5-(phenylsulfonyl)pentanoate Openeye Name: methyl 5-(benzenesulfonyl)-4-oxo-pentanoate CAS Name: 5-(benzenesulfonyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-4-oxopentanoate Traditional Name: 5-besyl-4-keto-valeric acid methyl ester Formula: C12H14O5S MolecularWeight: 270.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(=O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14O5S/c1-17-12(14)8-7-10(13)9-18(15,16)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3