1-phenylethyl 4-chloranyl-3-oxidanylidene-butanoate

Systemtic Name: 1-phenylethyl 4-chloranyl-3-oxidanylidene-butanoate Openeye Name: 1-phenylethyl 4-chloro-3-oxo-butanoate CAS Name: 4-chloro-3-oxobutanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-chloro-3-oxobutanoate Traditional Name: 4-chloro-3-keto-butyric acid 1-phenylethyl ester Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3/c1-9(10-5-3-2-4-6-10)16-12(15)7-11(14)8-13/h2-6,9H,7-8H2,1H3