[3-(1-cyclopropyl-1-oxidanyl-ethoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OC(C)(C3CC3)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OC(C)(C3CC3)O

InChI

InChI=1S/C19H22O7S2/c1-13-10-15(25-19(2,20)14-8-9-14)12-16(11-13)26-28(23,24)18-7-5-4-6-17(18)27(3,21)22/h4-7,10-12,14,20H,8-9H2,1-3H3