bis(3,4-dimethylphenyl)iodanium; octane-1-sulfonate

Systemtic Name: bis(3,4-dimethylphenyl)iodanium; octane-1-sulfonate Openeye Name: bis(3,4-dimethylphenyl)iodonium; octane-1-sulfonate CAS Name: bis(3,4-dimethylphenyl)iodonium; 1-octanesulfonate IUPAC Name: bis(3,4-dimethylphenyl)iodanium; octane-1-sulfonate Traditional Name: bis(3,4-dimethylphenyl)iodonium; octane-1-sulfonate Formula: C24H35IO3S MolecularWeight: 530.50237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I.C8H18O3S/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-2-3-4-5-6-7-8-12(9,10)11/h5-10H,1-4H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1