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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(3-pyridylmethoxy)phenyl]phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(3-pyridinylmethoxy)phenyl]phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(3-pyridylmethoxy)phenyl]phenyl]phenyl] ester Formula: C29H29NO12S3 MolecularWeight: 679.73506

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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)OCC4=CN=CC=C4)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)OCC4=CN=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H29NO12S3/c1-37-26-16-23(20-8-11-22(12-9-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-10-13-24(25(15-21)41-44(4,33)34)39-18-19-7-6-14-30-17-19/h6-17H,18H2,1-5H3