bis(3-carbonochloridoyl-4-methyl-phenyl)iodanium; hydrogen sulfate

Systemtic Name: bis(3-carbonochloridoyl-4-methyl-phenyl)iodanium; hydrogen sulfate Openeye Name: bis(3-chlorocarbonyl-4-methyl-phenyl)iodonium; hydrogen sulfate CAS Name: bis(3-carbonochloridoyl-4-methylphenyl)iodonium; hydrogen sulfate IUPAC Name: bis(3-carbonochloridoyl-4-methylphenyl)iodanium; hydrogen sulfate Traditional Name: bis(3-chlorocarbonyl-4-methyl-phenyl)iodonium bisulfate Formula: C16H13Cl2IO6S MolecularWeight: 531.14629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C(=O)Cl)C(=O)Cl.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C(=O)Cl)C(=O)Cl.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H12Cl2IO2.H2O4S/c1-9-3-5-11(7-13(9)15(17)20)19-12-6-4-10(2)14(8-12)16(18)21;1-5(2,3)4/h3-8H,1-2H3;(H2,1,2,3,4)/q+1;/p-1