(2-propanoylphenyl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-propanoylphenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-propanoylphenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(1-oxopropyl)phenyl] ester IUPAC Name: (2-propanoylphenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (2-propionylphenyl) ester Formula: C16H13F3O4S MolecularWeight: 358.33223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3O4S/c1-2-14(20)13-8-3-4-9-15(13)23-24(21,22)12-7-5-6-11(10-12)16(17,18)19/h3-10H,2H2,1H3