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

Systemtic Name: [2-(3-fluoranyl-4-phenylmethoxy-phenyl)-5-(4-fluorophenyl)-3,6-dimethoxy-phenyl] methanesulfonate Openeye Name: [2-(4-benzyloxy-3-fluoro-phenyl)-5-(4-fluorophenyl)-3,6-dimethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(4-fluorophenyl)-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] ester IUPAC Name: [5-(4-fluorophenyl)-2-(3-fluoro-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-benzoxy-3-fluoro-phenyl)-5-(4-fluorophenyl)-3,6-dimethoxy-phenyl] ester Formula: C28H24F2O6S MolecularWeight: 526.548366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)F)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)F)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C28H24F2O6S/c1-33-25-16-22(19-9-12-21(29)13-10-19)27(34-2)28(36-37(3,31)32)26(25)20-11-14-24(23(30)15-20)35-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3