[3-methyl-3-(2-methylsulfonyloxy-5-oxidanyl-phenyl)butyl] methanesulfonate

Systemtic Name: [3-methyl-3-(2-methylsulfonyloxy-5-oxidanyl-phenyl)butyl] methanesulfonate Openeye Name: [3-(5-hydroxy-2-methylsulfonyloxy-phenyl)-3-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(5-hydroxy-2-methylsulfonyloxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(5-hydroxy-2-methylsulfonyloxyphenyl)-3-methylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(5-hydroxy-2-methylsulfonyloxy-phenyl)-3-methyl-butyl] ester Formula: C13H20O7S2 MolecularWeight: 352.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOS(=O)(=O)C)C1=C(C=CC(=C1)O)OS(=O)(=O)C

Isomeric SMILES

CC(C)(CCOS(=O)(=O)C)C1=C(C=CC(=C1)O)OS(=O)(=O)C

InChI

InChI=1S/C13H20O7S2/c1-13(2,7-8-19-21(3,15)16)11-9-10(14)5-6-12(11)20-22(4,17)18/h5-6,9,14H,7-8H2,1-4H3