[(1S)-1-(4-chlorophenyl)-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [(1S)-1-(4-chlorophenyl)-3-oxidanylidene-butyl] ethanoate Openeye Name: [(1S)-1-(4-chlorophenyl)-3-oxo-butyl] acetate CAS Name: acetic acid [(1S)-1-(4-chlorophenyl)-3-oxobutyl] ester IUPAC Name: [(1S)-1-(4-chlorophenyl)-3-oxobutyl] acetate Traditional Name: acetic acid [(1S)-1-(4-chlorophenyl)-3-keto-butyl] ester Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=C(C=C1)Cl)OC(=O)C

Isomeric SMILES

CC(=O)C[C@@H](C1=CC=C(C=C1)Cl)OC(=O)C

InChI

InChI=1S/C12H13ClO3/c1-8(14)7-12(16-9(2)15)10-3-5-11(13)6-4-10/h3-6,12H,7H2,1-2H3/t12-/m0/s1