phenethyl 3-oxidanylidenebutanoate

Systemtic Name: phenethyl 3-oxidanylidenebutanoate Openeye Name: phenethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid phenethyl ester Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C12H14O3/c1-10(13)9-12(14)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3