(4-propanoylphenyl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-propanoylphenyl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate Openeye Name: (4-propanoylphenyl) 2-chloro-5-(trifluoromethyl)benzenesulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-chloro-5-(trifluoromethyl)benzenesulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid (4-propionylphenyl) ester Formula: C16H12ClF3O4S MolecularWeight: 392.77729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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