1-phenylethyl 2-chloranyl-3-oxidanylidene-butanoate

Systemtic Name: 1-phenylethyl 2-chloranyl-3-oxidanylidene-butanoate Openeye Name: 1-phenylethyl 2-chloro-3-oxo-butanoate CAS Name: 2-chloro-3-oxobutanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-chloro-3-oxobutanoate Traditional Name: 2-chloro-3-keto-butyric acid 1-phenylethyl ester Formula: C12H13ClO3 MolecularWeight: 240.68282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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