2-[1,1,1-tris(fluoranyl)propan-2-yloxycarbonyl]benzoic acid

Systemtic Name: 2-[1,1,1-tris(fluoranyl)propan-2-yloxycarbonyl]benzoic acid Openeye Name: 2-(2,2,2-trifluoro-1-methyl-ethoxy)carbonylbenzoic acid CAS Name: 2-[oxo(1,1,1-trifluoropropan-2-yloxy)methyl]benzoic acid IUPAC Name: 2-(1,1,1-trifluoropropan-2-yloxycarbonyl)benzoic acid Traditional Name: 2-(2,2,2-trifluoro-1-methyl-ethoxy)carbonylbenzoic acid Formula: C11H9F3O4 MolecularWeight: 262.18197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C(F)(F)F)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H9F3O4/c1-6(11(12,13)14)18-10(17)8-5-3-2-4-7(8)9(15)16/h2-6H,1H3,(H,15,16)