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

Systemtic Name: [4-[2-fluoranyl-3,6-dimethoxy-5-methylsulfonyloxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-fluoro-4-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[2-fluoro-4-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H27FO10S2 MolecularWeight: 618.647083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1OS(=O)(=O)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)F)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1OS(=O)(=O)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)F)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H27FO10S2/c1-36-27-25(20-12-15-23(22(31)16-20)38-17-18-8-6-5-7-9-18)29(40-42(4,34)35)28(37-2)24(26(27)30)19-10-13-21(14-11-19)39-41(3,32)33/h5-16,31H,17H2,1-4H3