[3-methyl-5-(3-oxidanyl-2-phenylmethoxy-propoxy)phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanyl-2-phenylmethoxy-propoxy)phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(2-benzyloxy-3-hydroxy-propoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(3-hydroxy-2-phenylmethoxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxy-2-phenylmethoxypropoxy)-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(2-benzoxy-3-hydroxy-propoxy)-5-methyl-phenyl] ester Formula: C24H26O8S2 MolecularWeight: 506.58844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC(CO)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC(CO)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26O8S2/c1-18-12-20(31-17-22(15-25)30-16-19-8-4-3-5-9-19)14-21(13-18)32-34(28,29)24-11-7-6-10-23(24)33(2,26)27/h3-14,22,25H,15-17H2,1-2H3