phenethyl 4-oxidanylidenepentanoate

Systemtic Name: phenethyl 4-oxidanylidenepentanoate Openeye Name: phenethyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid phenethyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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