4-methylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium

Systemtic Name: 4-methylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Openeye Name: (4-isobutylphenyl)-(p-tolyl)iodonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium IUPAC Name: 4-methylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Traditional Name: (4-isobutylphenyl)-(p-tolyl)iodonium tosylate Formula: C24H27IO3S MolecularWeight: 522.43885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20I.C7H8O3S/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13H,12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1