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

Systemtic Name: [5-[4-(3-fluoranyl-4-oxidanyl-phenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[4-(3-fluoro-4-hydroxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(3-fluoro-4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(3-fluoro-4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[4-(3-fluoro-4-hydroxy-phenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C28H25FO7S MolecularWeight: 524.557303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC(=C(C=C4)O)F

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC(=C(C=C4)O)F

InChI

InChI=1S/C28H25FO7S/c1-33-26-16-22(27(34-2)15-21(26)19-9-11-24(30)23(29)13-19)20-10-12-25(28(14-20)36-37(3,31)32)35-17-18-7-5-4-6-8-18/h4-16,30H,17H2,1-3H3