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

Systemtic Name: 4-methylbenzenesulfonate; [4-(2-methylbutan-2-yl)phenyl]-(4-methylphenyl)iodanium Openeye Name: [4-(1,1-dimethylpropyl)phenyl]-(p-tolyl)iodonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-(2-methylbutan-2-yl)phenyl]-(4-methylphenyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; [4-(2-methylbutan-2-yl)phenyl]-(4-methylphenyl)iodanium Traditional Name: (4-tert-amylphenyl)-(p-tolyl)iodonium tosylate Formula: C25H29IO3S MolecularWeight: 536.46543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22I.C7H8O3S/c1-5-18(3,4)15-8-12-17(13-9-15)19-16-10-6-14(2)7-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h6-13H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1