bis(4-tert-butylphenyl)iodanium; 4-octylbenzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-octylbenzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 4-octylbenzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 4-octylbenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 4-octylbenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 4-octylbesylate Formula: C34H47IO3S MolecularWeight: 662.70465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=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.C14H22O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h7-14H,1-6H3;9-12H,2-8H2,1H3,(H,15,16,17)/q+1;/p-1