iodanylbenzene; (4-methoxyphenyl) 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: iodanylbenzene; (4-methoxyphenyl) 2-(trifluoromethyl)benzenesulfonate Openeye Name: iodobenzene; (4-methoxyphenyl) 2-(trifluoromethyl)benzenesulfonate CAS Name: iodobenzene; 2-(trifluoromethyl)benzenesulfonic acid (4-methoxyphenyl) ester IUPAC Name: iodobenzene; (4-methoxyphenyl) 2-(trifluoromethyl)benzenesulfonate Traditional Name: iodobenzene; 2-(trifluoromethyl)benzenesulfonic acid (4-methoxyphenyl) ester Formula: C20H16F3IO4S MolecularWeight: 536.30332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C1=CC=C(C=C1)I

Isomeric SMILES

COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C1=CC=C(C=C1)I

InChI

InChI=1S/C14H11F3O4S.C6H5I/c1-20-10-6-8-11(9-7-10)21-22(18,19)13-5-3-2-4-12(13)14(15,16)17;7-6-4-2-1-3-5-6/h2-9H,1H3;1-5H