(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H11BrF3NO4S MolecularWeight: 450.22705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H11BrF3NO4S/c1-2-24-14-7-10(9-21)6-13(17)15(14)25-26(22,23)12-5-3-4-11(8-12)16(18,19)20/h3-8H,2H2,1H3