(7E)-3-methyl-7-(phenylmethylidene)oxepan-2-one

Systemtic Name: (7E)-3-methyl-7-(phenylmethylidene)oxepan-2-one Openeye Name: (7E)-7-benzylidene-3-methyl-oxepan-2-one CAS Name: (7E)-3-methyl-7-(phenylmethylene)-2-oxepanone IUPAC Name: (7E)-7-benzylidene-3-methyloxepan-2-one Traditional Name: (7E)-7-benzal-3-methyl-oxepan-2-one Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC=CC=C2)OC1=O

Isomeric SMILES

CC1CCC/C(=C\C2=CC=CC=C2)/OC1=O

InChI

InChI=1S/C14H16O2/c1-11-6-5-9-13(16-14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/b13-10+