5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid Openeye Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid CAS Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid Traditional Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]picolinic acid Formula: C28H16F9NO2 MolecularWeight: 569.417769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)C4=CN=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)C4=CN=C(C=C4)C(=O)O

InChI

InChI=1S/C28H16F9NO2/c29-26(30,31)19-7-1-4-16(12-19)25(22-10-11-23(24(39)40)38-15-22,17-5-2-8-20(13-17)27(32,33)34)18-6-3-9-21(14-18)28(35,36)37/h1-15H,(H,39,40)