benzenesulfonate; bis(2-tert-butylphenyl)iodanium

Systemtic Name: benzenesulfonate; bis(2-tert-butylphenyl)iodanium Openeye Name: benzenesulfonate; bis(2-tert-butylphenyl)iodonium CAS Name: benzenesulfonate; bis(2-tert-butylphenyl)iodonium IUPAC Name: benzenesulfonate; bis(2-tert-butylphenyl)iodanium Traditional Name: bis(2-tert-butylphenyl)iodonium besylate Formula: C26H31IO3S MolecularWeight: 550.49201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26I.C6H6O3S/c1-19(2,3)15-11-7-9-13-17(15)21-18-14-10-8-12-16(18)20(4,5)6;7-10(8,9)6-4-2-1-3-5-6/h7-14H,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1