3-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(5-cyano-2-fluoranyl-phenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(5-cyano-2-fluoro-phenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(5-cyano-2-fluorophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(5-cyano-2-fluorophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(5-cyano-2-fluoro-benzyl)sulfonylpropionic acid Formula: C11H10FNO4S MolecularWeight: 271.264803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CS(=O)(=O)CCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CS(=O)(=O)CCC(=O)O)F

InChI

InChI=1S/C11H10FNO4S/c12-10-2-1-8(6-13)5-9(10)7-18(16,17)4-3-11(14)15/h1-2,5H,3-4,7H2,(H,14,15)