4-methyl-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,3-dione

Systemtic Name: 4-methyl-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,3-dione Openeye Name: 4-[(E)-cinnamyl]-4-methyl-cyclohexane-1,3-dione CAS Name: 4-methyl-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,3-dione IUPAC Name: 4-methyl-4-[(E)-3-phenylprop-2-enyl]cyclohexane-1,3-dione Traditional Name: 4-[(E)-cinnamyl]-4-methyl-cyclohexane-1,3-quinone Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)CC1=O)CC=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-16(11-9-14(17)12-15(16)18)10-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3/b8-5+