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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(4-pyridylmethoxy)phenyl]phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(4-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=CC=NC=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=CC=NC=C4)OS(=O)(=O)C

InChI

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