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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(4-oxidanylbut-2-ynoxy)phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(4-hydroxybut-2-ynoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(4-hydroxybut-2-ynoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(4-hydroxybut-2-ynoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(4-hydroxybut-2-ynoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C27H28O13S3 MolecularWeight: 656.69842

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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)OCC#CCO)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)OCC#CCO)OS(=O)(=O)C

InChI

InChI=1S/C27H28O13S3/c1-35-24-17-21(18-8-11-20(12-9-18)38-41(3,29)30)26(36-2)27(40-43(5,33)34)25(24)19-10-13-22(37-15-7-6-14-28)23(16-19)39-42(4,31)32/h8-13,16-17,28H,14-15H2,1-5H3