bis(4-methylphenyl)iodanium; octane-1-sulfonate

Systemtic Name: bis(4-methylphenyl)iodanium; octane-1-sulfonate Openeye Name: bis-p-tolyliodonium; octane-1-sulfonate CAS Name: bis(4-methylphenyl)iodonium; 1-octanesulfonate IUPAC Name: bis(4-methylphenyl)iodanium; octane-1-sulfonate Traditional Name: bis-p-tolyliodonium; octane-1-sulfonate Formula: C22H31IO3S MolecularWeight: 502.44921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I.C8H18O3S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-3-4-5-6-7-8-12(9,10)11/h3-10H,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1