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

Systemtic Name: [4-[2-fluoranyl-3,6-dimethoxy-5-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2-fluoro-3,6-dimethoxy-5-methylsulfonyloxy-phenyl]phenyl] ester Formula: C30H29FO12S3 MolecularWeight: 696.737463

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

InChI

InChI=1S/C30H29FO12S3/c1-38-28-26(21-13-16-23(24(17-21)42-45(4,34)35)40-18-19-9-7-6-8-10-19)30(43-46(5,36)37)29(39-2)25(27(28)31)20-11-14-22(15-12-20)41-44(3,32)33/h6-17H,18H2,1-5H3