1-(phenylsulfonyl)ethyl 4-chloranyl-3-oxidanylidene-butanoate

Systemtic Name: 1-(phenylsulfonyl)ethyl 4-chloranyl-3-oxidanylidene-butanoate Openeye Name: 1-(benzenesulfonyl)ethyl 4-chloro-3-oxo-butanoate CAS Name: 4-chloro-3-oxobutanoic acid 1-(benzenesulfonyl)ethyl ester IUPAC Name: 1-(benzenesulfonyl)ethyl 4-chloro-3-oxobutanoate Traditional Name: 4-chloro-3-keto-butyric acid 1-besylethyl ester Formula: C12H13ClO5S MolecularWeight: 304.74662

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)CC(=O)CCl)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(OC(=O)CC(=O)CCl)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H13ClO5S/c1-9(18-12(15)7-10(14)8-13)19(16,17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3