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

Systemtic Name: 4-chloranylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Openeye Name: 4-chlorobenzenesulfonate; (4-isobutylphenyl)-(p-tolyl)iodonium CAS Name: 4-chlorobenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium IUPAC Name: 4-chlorobenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Traditional Name: 4-chlorobesylate; (4-isobutylphenyl)-(p-tolyl)iodonium Formula: C23H24ClIO3S MolecularWeight: 542.85733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C17H20I.C6H5ClO3S/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;7-5-1-3-6(4-2-5)11(8,9)10/h4-11,13H,12H2,1-3H3;1-4H,(H,8,9,10)/q+1;/p-1