2-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-cyano-2-fluoro-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(5-cyano-2-fluoro-benzyl)sulfonylacetic acid Formula: C10H8FNO4S MolecularWeight: 257.238223

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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)