[4-[4-(4-but-3-yn-2-yloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(4-but-3-yn-2-yloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[2,5-dimethoxy-4-[4-(1-methylprop-2-ynoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-but-3-yn-2-yloxy-3-methylsulfonyloxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-(4-but-3-yn-2-yloxy-3-methylsulfonyloxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2,5-dimethoxy-4-[4-(1-methylprop-2-ynoxy)-3-methylsulfonyloxy-phenyl]-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C27H28O12S3 MolecularWeight: 640.69902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C

Isomeric SMILES

CC(C#C)OC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OS(=O)(=O)C

InChI

InChI=1S/C27H28O12S3/c1-8-17(2)36-22-14-11-19(15-23(22)38-41(6,30)31)25-24(34-3)16-21(26(35-4)27(25)39-42(7,32)33)18-9-12-20(13-10-18)37-40(5,28)29/h1,9-17H,2-7H3