2-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]carbonylbenzoic acid

Systemtic Name: 2-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]carbonylbenzoic acid Openeye Name: 2-(2,2,2-trifluoro-1-phenyl-ethoxy)carbonylbenzoic acid CAS Name: 2-[oxo-(2,2,2-trifluoro-1-phenylethoxy)methyl]benzoic acid IUPAC Name: 2-(2,2,2-trifluoro-1-phenylethoxy)carbonylbenzoic acid Traditional Name: 2-(2,2,2-trifluoro-1-phenyl-ethoxy)carbonylbenzoic acid Formula: C16H11F3O4 MolecularWeight: 324.25135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(F)(F)F)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(F)(F)F)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H11F3O4/c17-16(18,19)13(10-6-2-1-3-7-10)23-15(22)12-9-5-4-8-11(12)14(20)21/h1-9,13H,(H,20,21)