bis(3,4-dimethylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(3,4-dimethylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis(3,4-dimethylphenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(3,4-dimethylphenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(3,4-dimethylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(3,4-dimethylphenyl)iodonium; 4-(trifluoromethyl)besylate Formula: C23H22F3IO3S MolecularWeight: 562.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C)C.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C)C.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18I.C7H5F3O3S/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h5-10H,1-4H3;1-4H,(H,11,12,13)/q+1;/p-1