[3-(1-hydroxyethyloxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-(1-hydroxyethyloxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(1-hydroxyethoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(1-hydroxyethoxy)-5-methylphenyl] ester IUPAC Name: [3-(1-hydroxyethoxy)-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(1-hydroxyethoxy)-5-methyl-phenyl] ester Formula: C16H18O7S2 MolecularWeight: 386.43992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O7S2/c1-11-8-13(22-12(2)17)10-14(9-11)23-25(20,21)16-7-5-4-6-15(16)24(3,18)19/h4-10,12,17H,1-3H3