aluminum 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: aluminum 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: aluminum 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: aluminum 2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: aluminum 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: aluminum 2-[3-(trifluoromethyl)anilino]benzoate Formula: C42H27AlF9N3O6 MolecularWeight: 867.647447

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H10F3NO2.Al/c3*15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h3*1-8,18H,(H,19,20);/q;;;+3/p-3