(5-tert-butyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium

Systemtic Name: (5-tert-butyl-2-thiophen-2-ylcarbonyl-cyclohexa-1,4-dien-1-yl)-phenyl-iodanium Openeye Name: [5-tert-butyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium CAS Name: [5-tert-butyl-2-[oxo(thiophen-2-yl)methyl]-1-cyclohexa-1,4-dienyl]-phenyliodonium IUPAC Name: [5-tert-butyl-2-(thiophene-2-carbonyl)cyclohexa-1,4-dien-1-yl]-phenyliodanium Traditional Name: [5-tert-butyl-2-(2-thenoyl)cyclohexa-1,4-dien-1-yl]-phenyl-iodonium Formula: C21H22IOS+ MolecularWeight: 449.36825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CCC(=C(C1)[I+]C2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22IOS/c1-21(2,3)15-11-12-17(20(23)19-10-7-13-24-19)18(14-15)22-16-8-5-4-6-9-16/h4-11,13H,12,14H2,1-3H3/q+1