[(1S)-1-(4-chlorophenyl)ethyl] butanoate

Systemtic Name: [(1S)-1-(4-chlorophenyl)ethyl] butanoate Openeye Name: [(1S)-1-(4-chlorophenyl)ethyl] butanoate CAS Name: butanoic acid [(1S)-1-(4-chlorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-chlorophenyl)ethyl] butanoate Traditional Name: butyric acid [(1S)-1-(4-chlorophenyl)ethyl] ester Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO2/c1-3-4-12(14)15-9(2)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3/t9-/m0/s1