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

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

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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)OCCC#C)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)OCCC#C)OS(=O)(=O)C

InChI

InChI=1S/C27H28O12S3/c1-7-8-15-36-22-14-11-19(16-23(22)38-41(5,30)31)25-24(34-2)17-21(26(35-3)27(25)39-42(6,32)33)18-9-12-20(13-10-18)37-40(4,28)29/h1,9-14,16-17H,8,15H2,2-6H3