[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C17H17F3O5S MolecularWeight: 390.37409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F)OCCCO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F)OCCCO

InChI

InChI=1S/C17H17F3O5S/c1-12-9-13(24-8-4-7-21)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)17(18,19)20/h2-3,5-6,9-11,21H,4,7-8H2,1H3