3-(2-fluoranyl-4-nitro-6-sulfamoyl-phenoxy)propanoic acid

Systemtic Name: 3-(2-fluoranyl-4-nitro-6-sulfamoyl-phenoxy)propanoic acid Openeye Name: 3-(2-fluoro-4-nitro-6-sulfamoyl-phenoxy)propanoic acid CAS Name: 3-(2-fluoro-4-nitro-6-sulfamoylphenoxy)propanoic acid IUPAC Name: 3-(2-fluoro-4-nitro-6-sulfamoylphenoxy)propanoic acid Traditional Name: 3-(2-fluoro-4-nitro-6-sulfamoyl-phenoxy)propionic acid Formula: C9H9FN2O7S MolecularWeight: 308.240363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)OCCC(=O)O)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1F)OCCC(=O)O)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9FN2O7S/c10-6-3-5(12(15)16)4-7(20(11,17)18)9(6)19-2-1-8(13)14/h3-4H,1-2H2,(H,13,14)(H2,11,17,18)