(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H12BrF2NO5S MolecularWeight: 460.246686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrF2NO5S/c1-2-25-14-8-10(9-21)7-13(18)15(14)26-16(22)11-3-5-12(6-4-11)27(23,24)17(19)20/h3-8,17H,2H2,1H3