4-[2,2,2-tris(fluoranyl)-1-phenyl-ethyl]phthalic acid

Systemtic Name: 4-[2,2,2-tris(fluoranyl)-1-phenyl-ethyl]phthalic acid Openeye Name: 4-(2,2,2-trifluoro-1-phenyl-ethyl)phthalic acid CAS Name: 4-(2,2,2-trifluoro-1-phenylethyl)phthalic acid IUPAC Name: 4-(2,2,2-trifluoro-1-phenylethyl)phthalic acid Traditional Name: 4-(2,2,2-trifluoro-1-phenyl-ethyl)phthalic acid Formula: C16H11F3O4 MolecularWeight: 324.25135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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