3-phenylpropyl 3-oxidanylidenebutanoate

Systemtic Name: 3-phenylpropyl 3-oxidanylidenebutanoate Openeye Name: 3-phenylpropyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 3-phenylpropyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C13H16O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3