bis(4-tert-butylphenyl)iodanium; octane-1-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; octane-1-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; octane-1-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 1-octanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; octane-1-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; octane-1-sulfonate Formula: C28H43IO3S MolecularWeight: 586.60869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C8H18O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-3-4-5-6-7-8-12(9,10)11/h7-14H,1-6H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1