bis(4-tert-butylphenyl)iodanium; ethanesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; ethanesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; ethanesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; ethanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; ethanesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium esylate Formula: C22H31IO3S MolecularWeight: 502.44921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS(=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.C2H6O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-6(3,4)5/h7-14H,1-6H3;2H2,1H3,(H,3,4,5)/q+1;/p-1