bis(3,4-dimethylphenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis(3,4-dimethylphenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: bis(3,4-dimethylphenyl)iodonium; 4-methylbenzenesulfonate CAS Name: bis(3,4-dimethylphenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: bis(3,4-dimethylphenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: bis(3,4-dimethylphenyl)iodonium tosylate Formula: C23H25IO3S MolecularWeight: 508.41227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I.C7H8O3S/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1