[3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-methyl-5-[(1-methylolcyclopropyl)methoxy]phenyl] ester Formula: C19H22O7S2 MolecularWeight: 426.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC3(CC3)CO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC3(CC3)CO

InChI

InChI=1S/C19H22O7S2/c1-14-9-15(25-13-19(12-20)7-8-19)11-16(10-14)26-28(23,24)18-6-4-3-5-17(18)27(2,21)22/h3-6,9-11,20H,7-8,12-13H2,1-2H3