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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O7S2/c1-12-9-13(22-8-7-17)11-14(10-12)23-25(20,21)16-6-4-3-5-15(16)24(2,18)19/h3-6,9-11,17H,7-8H2,1-2H3