3-fluoranyl-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 3-fluoranyl-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 3-fluoro-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid CAS Name: 3-fluoro-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 3-fluoro-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 3-fluoro-2,6-bis[4-(trifluoromethyl)phenyl]benzoic acid Formula: C21H11F7O2 MolecularWeight: 428.299662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C=C2)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C=C2)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(F)(F)F

InChI

InChI=1S/C21H11F7O2/c22-16-10-9-15(11-1-5-13(6-2-11)20(23,24)25)18(19(29)30)17(16)12-3-7-14(8-4-12)21(26,27)28/h1-10H,(H,29,30)