methyl (2S)-2-[(2-chlorophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-[(2-chlorophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-[(2-chlorophenyl)methyl]-3-oxo-butanoate CAS Name: (2S)-2-[(2-chlorophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-chlorophenyl)methyl]-3-oxobutanoate Traditional Name: (2S)-2-(2-chlorobenzyl)-3-keto-butyric acid methyl ester Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1Cl)C(=O)OC

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1Cl)C(=O)OC

InChI

InChI=1S/C12H13ClO3/c1-8(14)10(12(15)16-2)7-9-5-3-4-6-11(9)13/h3-6,10H,7H2,1-2H3/t10-/m0/s1