5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(E)-3-phenylacryloyl]cyclohexane-1,3-quinone Formula: C17H18O3 MolecularWeight: 270.32302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3/c1-17(2)10-14(19)16(15(20)11-17)13(18)9-8-12-6-4-3-5-7-12/h3-9,16H,10-11H2,1-2H3/b9-8+