methyl (2E)-4-oxidanylidene-2-(phenylmethylidene)pentanoate

Systemtic Name: methyl (2E)-4-oxidanylidene-2-(phenylmethylidene)pentanoate Openeye Name: methyl (2E)-2-benzylidene-4-oxo-pentanoate CAS Name: (2E)-4-oxo-2-(phenylmethylene)pentanoic acid methyl ester IUPAC Name: methyl (2E)-2-benzylidene-4-oxopentanoate Traditional Name: (E)-2-acetonyl-3-phenyl-acrylic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)C/C(=C\C1=CC=CC=C1)/C(=O)OC

InChI

InChI=1S/C13H14O3/c1-10(14)8-12(13(15)16-2)9-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/b12-9+