(phenylmethyl) 3-bromanyl-4-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 3-bromanyl-4-oxidanylidene-pentanoate Openeye Name: benzyl 3-bromo-4-oxo-pentanoate CAS Name: 3-bromo-4-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-bromo-4-oxopentanoate Traditional Name: 3-bromo-4-keto-valeric acid benzyl ester Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO3/c1-9(14)11(13)7-12(15)16-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3