[5-bromanyl-2-(3-fluoranyl-4-phenylmethoxy-phenyl)-3,6-dimethoxy-phenyl] methanesulfonate

Systemtic Name: [5-bromanyl-2-(3-fluoranyl-4-phenylmethoxy-phenyl)-3,6-dimethoxy-phenyl] methanesulfonate Openeye Name: [2-(4-benzyloxy-3-fluoro-phenyl)-5-bromo-3,6-dimethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-bromo-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] ester IUPAC Name: [5-bromo-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-benzoxy-3-fluoro-phenyl)-5-bromo-3,6-dimethoxy-phenyl] ester Formula: C22H20BrFO6S MolecularWeight: 511.358003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OS(=O)(=O)C)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OS(=O)(=O)C)OC)Br

InChI

InChI=1S/C22H20BrFO6S/c1-27-19-12-16(23)21(28-2)22(30-31(3,25)26)20(19)15-9-10-18(17(24)11-15)29-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3