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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-chloranyl-2-(trifluoromethyl)benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-chloro-2-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-2-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-chloro-2-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-2-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H10BrClF3NO4S MolecularWeight: 484.67211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrClF3NO4S/c1-2-25-13-6-9(8-22)5-12(17)15(13)26-27(23,24)14-4-3-10(18)7-11(14)16(19,20)21/h3-7H,2H2,1H3