(phenylmethyl) (E)-4,4-dimethyl-5-oxidanylidene-pent-2-enoate

Systemtic Name: (phenylmethyl) (E)-4,4-dimethyl-5-oxidanylidene-pent-2-enoate Openeye Name: benzyl (E)-4,4-dimethyl-5-oxo-pent-2-enoate CAS Name: (E)-4,4-dimethyl-5-oxo-2-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4,4-dimethyl-5-oxopent-2-enoate Traditional Name: (E)-5-keto-4,4-dimethyl-pent-2-enoic acid benzyl ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-14(2,11-15)9-8-13(16)17-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+