(phenylmethyl) (2S)-2-methyl-4-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-methyl-4-oxidanylidene-pentanoate Openeye Name: benzyl (2S)-2-methyl-4-oxo-pentanoate CAS Name: (2S)-2-methyl-4-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-methyl-4-oxopentanoate Traditional Name: (2S)-4-keto-2-methyl-valeric acid benzyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC(=O)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16O3/c1-10(8-11(2)14)13(15)16-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1