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

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-butylbenzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 4-butylbenzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 4-butylbenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 4-butylbenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 4-butylbesylate Formula: C30H39IO3S MolecularWeight: 606.59833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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.C10H14O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h7-14H,1-6H3;5-8H,2-4H2,1H3,(H,11,12,13)/q+1;/p-1