4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-iodanium Openeye Name: (4-tert-butoxyphenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodanium Traditional Name: (4-tert-butoxyphenyl)-phenyl-iodonium tosylate Formula: C23H25IO4S MolecularWeight: 524.41167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C16H18IO.C7H8O3S/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1