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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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