[3-methyl-5-(1-oxidanylpropoxy)phenyl] 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-methyl-5-(1-oxidanylpropoxy)phenyl] 2-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(1-hydroxypropoxy)-5-methyl-phenyl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid [3-(1-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(1-hydroxypropoxy)-5-methylphenyl] 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid [3-(1-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C17H17F3O5S MolecularWeight: 390.37409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC(O)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H17F3O5S/c1-3-16(21)24-12-8-11(2)9-13(10-12)25-26(22,23)15-7-5-4-6-14(15)17(18,19)20/h4-10,16,21H,3H2,1-2H3