3-bromanyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid

Systemtic Name: 3-bromanyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 3-bromo-4-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 3-bromo-4-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 3-bromo-4-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 3-bromo-4-(2,2,2-trifluoroethoxy)benzoic acid Formula: C9H6BrF3O3 MolecularWeight: 299.04135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)Br)OCC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)Br)OCC(F)(F)F

InChI

InChI=1S/C9H6BrF3O3/c10-6-3-5(8(14)15)1-2-7(6)16-4-9(11,12)13/h1-3H,4H2,(H,14,15)