(2-acetamidophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-acetamidophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-acetamidophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-acetamidophenyl) ester Formula: C15H11ClF3NO4S MolecularWeight: 393.76535

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H11ClF3NO4S/c1-9(21)20-13-4-2-3-5-14(13)24-25(22,23)10-6-7-12(16)11(8-10)15(17,18)19/h2-8H,1H3,(H,20,21)