(4-chloranyl-2-propanoyl-phenyl) 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 2-(trifluoromethyl)benzenesulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C16H12ClF3O4S MolecularWeight: 392.77729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3O4S/c1-2-13(21)11-9-10(17)7-8-14(11)24-25(22,23)15-6-4-3-5-12(15)16(18,19)20/h3-9H,2H2,1H3