(4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; 2,4,6-trimethylbenzenesulfonate Openeye Name: (4-isobutylphenyl)-(p-tolyl)iodonium; 2,4,6-trimethylbenzenesulfonate CAS Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium; 2,4,6-trimethylbenzenesulfonate IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4-isobutylphenyl)-(p-tolyl)iodonium; 2,4,6-trimethylbesylate Formula: C26H31IO3S MolecularWeight: 550.49201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C17H20I.C9H12O3S/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-11,13H,12H2,1-3H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1