benzenesulfonate; bis(4-methylphenyl)iodanium

Systemtic Name: benzenesulfonate; bis(4-methylphenyl)iodanium Openeye Name: benzenesulfonate; bis-p-tolyliodonium CAS Name: benzenesulfonate; bis(4-methylphenyl)iodonium IUPAC Name: benzenesulfonate; bis(4-methylphenyl)iodanium Traditional Name: bis-p-tolyliodonium besylate Formula: C20H19IO3S MolecularWeight: 466.33253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I.C6H6O3S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;7-10(8,9)6-4-2-1-3-5-6/h3-10H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1