[4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(3-fluoranyl-4-phenylmethoxy-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-fluoro-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-fluoro-phenyl)-2-methoxy-5-methyl-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C29H27FO8S2 MolecularWeight: 586.648283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C29H27FO8S2/c1-19-16-24(21-10-13-23(14-11-21)37-39(3,31)32)28(35-2)29(38-40(4,33)34)27(19)22-12-15-26(25(30)17-22)36-18-20-8-6-5-7-9-20/h5-17H,18H2,1-4H3