2-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]ethanoate Openeye Name: 2-[(5-cyano-2-fluoro-phenyl)methylsulfonyl]acetate CAS Name: 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]acetate IUPAC Name: 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]acetate Traditional Name: 2-(5-cyano-2-fluoro-benzyl)sulfonylacetate Formula: C10H7FNO4S- MolecularWeight: 256.230283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CS(=O)(=O)CC(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CS(=O)(=O)CC(=O)[O-])F

InChI

InChI=1S/C10H8FNO4S/c11-9-2-1-7(4-12)3-8(9)5-17(15,16)6-10(13)14/h1-3H,5-6H2,(H,13,14)/p-1