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

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-iodanium; 4-(2-phenylpropan-2-yl)benzenesulfonate Openeye Name: (4-tert-butoxyphenyl)-phenyl-iodonium; 4-(1-methyl-1-phenyl-ethyl)benzenesulfonate CAS Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodonium; 4-(2-phenylpropan-2-yl)benzenesulfonate IUPAC Name: [4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodanium; 4-(2-phenylpropan-2-yl)benzenesulfonate Traditional Name: (4-tert-butoxyphenyl)-phenyl-iodonium; 4-cumylbesylate Formula: C31H33IO4S MolecularWeight: 628.56079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18IO.C15H16O3S/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13;1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h4-12H,1-3H3;3-11H,1-2H3,(H,16,17,18)/q+1;/p-1