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

Systemtic Name: [2-(4-fluorophenyl)-3,6-dimethoxy-5-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl] methanesulfonate Openeye Name: [5-(4-benzyloxy-3-hydroxy-phenyl)-2-(4-fluorophenyl)-3,6-dimethoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-fluorophenyl)-5-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(4-benzoxy-3-hydroxy-phenyl)-2-(4-fluorophenyl)-3,6-dimethoxy-phenyl] ester Formula: C28H25FO7S MolecularWeight: 524.557303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)OS(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)OS(=O)(=O)C)C4=CC=C(C=C4)F

InChI

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