3,6-dimethyl-2-[2,2,2-tris(fluoranyl)ethoxycarbonyl]benzoic acid

Systemtic Name: 3,6-dimethyl-2-[2,2,2-tris(fluoranyl)ethoxycarbonyl]benzoic acid Openeye Name: 3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid CAS Name: 3,6-dimethyl-2-[oxo(2,2,2-trifluoroethoxy)methyl]benzoic acid IUPAC Name: 3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid Traditional Name: 3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid Formula: C12H11F3O4 MolecularWeight: 276.20855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C(=O)OCC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C(=O)OCC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3O4/c1-6-3-4-7(2)9(8(6)10(16)17)11(18)19-5-12(13,14)15/h3-4H,5H2,1-2H3,(H,16,17)