benzenesulfonate; bis(3,4-dimethylphenyl)iodanium

Systemtic Name: benzenesulfonate; bis(3,4-dimethylphenyl)iodanium Openeye Name: benzenesulfonate; bis(3,4-dimethylphenyl)iodonium CAS Name: benzenesulfonate; bis(3,4-dimethylphenyl)iodonium IUPAC Name: benzenesulfonate; bis(3,4-dimethylphenyl)iodanium Traditional Name: bis(3,4-dimethylphenyl)iodonium besylate Formula: C22H23IO3S MolecularWeight: 494.38569

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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=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18I.C6H6O3S/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;7-10(8,9)6-4-2-1-3-5-6/h5-10H,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1