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

Systemtic Name: ethanesulfonate; [2-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]iodanium Openeye Name: [2-(4-tert-butoxyphenyl)phenyl]iodonium; ethanesulfonate CAS Name: ethanesulfonate; [2-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]iodonium IUPAC Name: ethanesulfonate; [2-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]iodanium Traditional Name: [2-(4-tert-butoxyphenyl)phenyl]iodonium esylate Formula: C18H23IO4S MolecularWeight: 462.34229

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)C2=CC=CC=C2[IH+]

Isomeric SMILES

CCS(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)C2=CC=CC=C2[IH+]

InChI

InChI=1S/C16H18IO.C2H6O3S/c1-16(2,3)18-13-10-8-12(9-11-13)14-6-4-5-7-15(14)17;1-2-6(3,4)5/h4-11,17H,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1