2-(phenylsulfonyl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-(phenylsulfonyl)ethyl 3-oxidanylidenebutanoate Openeye Name: 2-(benzenesulfonyl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-(benzenesulfonyl)ethyl ester IUPAC Name: 2-(benzenesulfonyl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-besylethyl ester Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)OCCS(=O)(=O)C1=CC=CC=C1

InChI

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