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

Systemtic Name: [5-[4-(4-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[4-(4-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(4-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[4-(4-fluorophenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H27FO9S2 MolecularWeight: 602.647683

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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)OS(=O)(=O)C)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)OS(=O)(=O)C)OC)OS(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H27FO9S2/c1-35-26-17-23(28(36-2)29(39-41(4,33)34)27(26)20-10-13-22(30)14-11-20)21-12-15-24(25(16-21)38-40(3,31)32)37-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3