aluminum; pyridine-4-carboxylate; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: aluminum; pyridine-4-carboxylate; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: aluminum; pyridine-4-carboxylate; 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: aluminum; 4-pyridinecarboxylate; 2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: aluminum; pyridine-4-carboxylate; 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: aluminum; isonicotinate; 2-[3-(trifluoromethyl)anilino]benzoate Formula: C26H17AlF3N3O6 MolecularWeight: 551.406428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.C1=CN=CC=C1C(=O)[O-].C1=CN=CC=C1C(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.C1=CN=CC=C1C(=O)[O-].C1=CN=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/C14H10F3NO2.2C6H5NO2.Al/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;2*8-6(9)5-1-3-7-4-2-5;/h1-8,18H,(H,19,20);2*1-4H,(H,8,9);/q;;;+3/p-3