3-[(4-cyano-2-fluoranyl-phenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(4-cyano-2-fluoranyl-phenyl)methylsulfonyl]propanoate Openeye Name: 3-[(4-cyano-2-fluoro-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(4-cyano-2-fluorophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(4-cyano-2-fluorophenyl)methylsulfonyl]propanoate Traditional Name: 3-(4-cyano-2-fluoro-benzyl)sulfonylpropionate Formula: C11H9FNO4S- MolecularWeight: 270.256863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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