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

Systemtic Name: aluminum; 2-acetyloxy-3-oxidanyl-benzoate; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: aluminum; 2-acetoxy-3-hydroxy-benzoate; 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: aluminum; 2-acetyloxy-3-hydroxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: aluminum; 2-acetyloxy-3-hydroxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: aluminum; 2-acetoxy-3-hydroxy-benzoate; 2-[3-(trifluoromethyl)anilino]benzoate Formula: C23H16AlF3NO7+ MolecularWeight: 502.352388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1O)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.[Al+3]

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1O)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.[Al+3]

InChI

InChI=1S/C14H10F3NO2.C9H8O5.Al/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;1-5(10)14-8-6(9(12)13)3-2-4-7(8)11;/h1-8,18H,(H,19,20);2-4,11H,1H3,(H,12,13);/q;;+3/p-2