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

Systemtic Name: 4-bromanyl-5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione Openeye Name: 4-bromo-5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione CAS Name: 4-bromo-5,5-dimethyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]cyclohexane-1,3-dione IUPAC Name: 4-bromo-5,5-dimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexane-1,3-dione Traditional Name: 4-bromo-5,5-dimethyl-2-[(E)-3-phenylacryloyl]cyclohexane-1,3-quinone Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1Br)C(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1Br)C(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C17H17BrO3/c1-17(2)10-13(20)14(15(21)16(17)18)12(19)9-8-11-6-4-3-5-7-11/h3-9,14,16H,10H2,1-2H3/b9-8+