2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2,5,5-trimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2,5,5-trimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]-2,5,5-trimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-2,5,5-trimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]-2,5,5-trimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-2,5,5-trimethyl-cyclohexane-1,3-quinone Formula: C17H19BrO3 MolecularWeight: 351.23496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO3/c1-16(2)9-14(20)17(3,15(21)10-16)8-13(19)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3