(3E)-3-(phenylmethylidene)heptan-2-one

Systemtic Name: (3E)-3-(phenylmethylidene)heptan-2-one Openeye Name: (3E)-3-benzylideneheptan-2-one CAS Name: (3E)-3-(phenylmethylene)-2-heptanone IUPAC Name: (3E)-3-benzylideneheptan-2-one Traditional Name: (E)-3-butyl-4-phenyl-but-3-en-2-one Formula: C14H18O MolecularWeight: 202.29212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3/b14-11+