3-fluoranyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoate

Systemtic Name: 3-fluoranyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoate Openeye Name: 3-fluoro-4-(2,2,2-trifluoroethoxy)benzoate CAS Name: 3-fluoro-4-(2,2,2-trifluoroethoxy)benzoate IUPAC Name: 3-fluoro-4-(2,2,2-trifluoroethoxy)benzoate Traditional Name: 3-fluoro-4-(2,2,2-trifluoroethoxy)benzoate Formula: C9H5F4O3- MolecularWeight: 237.127813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])F)OCC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])F)OCC(F)(F)F

InChI

InChI=1S/C9H6F4O3/c10-6-3-5(8(14)15)1-2-7(6)16-4-9(11,12)13/h1-3H,4H2,(H,14,15)/p-1