(2-ethanoyl-5-methoxy-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-acetyl-5-methoxy-phenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C16H12ClF3O5S MolecularWeight: 408.77669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3O5S/c1-9(21)12-5-3-10(24-2)7-15(12)25-26(22,23)11-4-6-14(17)13(8-11)16(18,19)20/h3-8H,1-2H3