[2-[2-(2-iodanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-ethyl]phenyl] benzenesulfonate

Systemtic Name: [2-[2-(2-iodanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-ethyl]phenyl] benzenesulfonate Openeye Name: [2-[2-(2-iodo-4,5-dimethoxy-phenyl)-2-oxo-ethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[2-(2-iodo-4,5-dimethoxyphenyl)-2-oxoethyl]phenyl] ester IUPAC Name: [2-[2-(2-iodo-4,5-dimethoxyphenyl)-2-oxoethyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[2-(2-iodo-4,5-dimethoxy-phenyl)-2-keto-ethyl]phenyl] ester Formula: C22H19IO6S MolecularWeight: 538.35213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)I)OC

InChI

InChI=1S/C22H19IO6S/c1-27-21-13-17(18(23)14-22(21)28-2)19(24)12-15-8-6-7-11-20(15)29-30(25,26)16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3