(phenylmethyl) 3-oxidanylidenehept-6-enoate

Systemtic Name: (phenylmethyl) 3-oxidanylidenehept-6-enoate Openeye Name: benzyl 3-oxohept-6-enoate CAS Name: 3-oxo-6-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-oxohept-6-enoate Traditional Name: 3-ketohept-6-enoic acid benzyl ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-2-3-9-13(15)10-14(16)17-11-12-7-5-4-6-8-12/h2,4-8H,1,3,9-11H2