[5-tert-butyl-2-(2,2-dimethylpropanoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodanium

Systemtic Name: [5-tert-butyl-2-(2,2-dimethylpropanoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodanium Openeye Name: [5-tert-butyl-2-(2,2-dimethylpropanoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium CAS Name: [5-tert-butyl-2-(2,2-dimethyl-1-oxopropyl)-1-cyclohexa-1,4-dienyl]-phenyliodonium IUPAC Name: [5-tert-butyl-2-(2,2-dimethylpropanoyl)cyclohexa-1,4-dien-1-yl]-phenyliodanium Traditional Name: (5-tert-butyl-2-pivaloyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodonium Formula: C21H28IO+ MolecularWeight: 423.35089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C(C)(C)C

InChI

InChI=1S/C21H28IO/c1-20(2,3)15-12-13-17(19(23)21(4,5)6)18(14-15)22-16-10-8-7-9-11-16/h7-12H,13-14H2,1-6H3/q+1