(5E)-1-(4-methylphenyl)-5-(phenylmethylidene)heptane-1,6-dione

Systemtic Name: (5E)-1-(4-methylphenyl)-5-(phenylmethylidene)heptane-1,6-dione Openeye Name: (5E)-5-benzylidene-1-(p-tolyl)heptane-1,6-dione CAS Name: (5E)-1-(4-methylphenyl)-5-(phenylmethylene)heptane-1,6-dione IUPAC Name: (5E)-5-benzylidene-1-(4-methylphenyl)heptane-1,6-dione Traditional Name: (5E)-5-benzal-1-(p-tolyl)heptane-1,6-dione Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCCC(=CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC/C(=C\C2=CC=CC=C2)/C(=O)C

InChI

InChI=1S/C21H22O2/c1-16-11-13-19(14-12-16)21(23)10-6-9-20(17(2)22)15-18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10H2,1-2H3/b20-15+