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

Systemtic Name: [4-methyl-2-(3-oxidanyl-2-phenylmethoxy-propoxy)phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [2-(2-benzyloxy-3-hydroxy-propoxy)-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-(3-hydroxy-2-phenylmethoxypropoxy)-4-methylphenyl] ester IUPAC Name: [2-(3-hydroxy-2-phenylmethoxypropoxy)-4-methylphenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [2-(2-benzoxy-3-hydroxy-propoxy)-4-methyl-phenyl] ester Formula: C24H26O8S2 MolecularWeight: 506.58844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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