(3,3-dicarbonochloridoyl-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodanium; hydrogen sulfate

Systemtic Name: (3,3-dicarbonochloridoyl-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodanium; hydrogen sulfate Openeye Name: (3,3-dichlorocarbonyl-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodonium; hydrogen sulfate CAS Name: (3,3-dicarbonochloridoyl-4,4-dimethyl-1-cyclohexa-1,5-dienyl)-phenyliodonium; hydrogen sulfate IUPAC Name: (3,3-dicarbonochloridoyl-4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenyliodanium; hydrogen sulfate Traditional Name: (3,3-dichlorocarbonyl-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodonium bisulfate Formula: C16H15Cl2IO6S MolecularWeight: 533.16217

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=CC1(C(=O)Cl)C(=O)Cl)[I+]C2=CC=CC=C2)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1(C=CC(=CC1(C(=O)Cl)C(=O)Cl)[I+]C2=CC=CC=C2)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H14Cl2IO2.H2O4S/c1-15(2)9-8-12(19-11-6-4-3-5-7-11)10-16(15,13(17)20)14(18)21;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4)/q+1;/p-1