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

Systemtic Name: [4-[4-[4-(cyanomethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(cyanomethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(cyanomethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(cyanomethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(cyanomethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C25H25NO12S3 MolecularWeight: 627.6605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC#N)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC#N)OS(=O)(=O)C

InChI

InChI=1S/C25H25NO12S3/c1-33-22-15-19(16-6-9-18(10-7-16)36-39(3,27)28)24(34-2)25(38-41(5,31)32)23(22)17-8-11-20(35-13-12-26)21(14-17)37-40(4,29)30/h6-11,14-15H,13H2,1-5H3