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

Systemtic Name: [4-[2,5-dimethoxy-4-(4-methylsulfonyloxy-3-nitro-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-4-(4-methylsulfonyloxy-3-nitro-phenyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-4-(4-methylsulfonyloxy-3-nitrophenyl)phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-4-(4-methylsulfonyloxy-3-nitrophenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-4-(4-methylsulfonyloxy-3-nitro-phenyl)phenyl]phenyl] ester Formula: C22H21NO10S2 MolecularWeight: 523.53284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO10S2/c1-30-21-13-18(15-7-10-20(33-35(4,28)29)19(11-15)23(24)25)22(31-2)12-17(21)14-5-8-16(9-6-14)32-34(3,26)27/h5-13H,1-4H3