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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(2-pyridylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(2-pyridinylmethylthio)phenyl]phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(2-pyridylmethylthio)phenyl]phenyl]phenyl] ester Formula: C29H29NO11S4 MolecularWeight: 695.80066

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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)SCC4=CC=CC=N4)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)SCC4=CC=CC=N4)OS(=O)(=O)C

InChI

InChI=1S/C29H29NO11S4/c1-37-25-17-23(19-9-12-22(13-10-19)39-43(3,31)32)28(38-2)29(41-45(5,35)36)27(25)20-11-14-26(24(16-20)40-44(4,33)34)42-18-21-8-6-7-15-30-21/h6-17H,18H2,1-5H3