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

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C17H20O7S2 MolecularWeight: 400.4665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O7S2/c1-13-10-14(23-9-5-8-18)12-15(11-13)24-26(21,22)17-7-4-3-6-16(17)25(2,19)20/h3-4,6-7,10-12,18H,5,8-9H2,1-2H3