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

Systemtic Name: [4-[4-[3-(iodanylmethyl)-4-phenylmethoxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-benzyloxy-3-(iodomethyl)phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-(iodomethyl)-4-phenylmethoxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[3-(iodomethyl)-4-phenylmethoxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-benzoxy-3-(iodomethyl)phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C30H29IO9S2 MolecularWeight: 724.58033

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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=CC=C4)CI

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=CC=C4)CI

InChI

InChI=1S/C30H29IO9S2/c1-36-27-17-25(21-10-13-24(14-11-21)39-41(3,32)33)29(37-2)30(40-42(4,34)35)28(27)22-12-15-26(23(16-22)18-31)38-19-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3