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

Systemtic Name: aluminum; 2-acetyloxybenzoate; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: aluminum; 2-acetoxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: aluminum; 2-acetyloxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate IUPAC Name: aluminum; 2-acetyloxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: aluminum; 2-acetoxybenzoate; 2-[3-(trifluoromethyl)anilino]benzoate Formula: C32H23AlF3NO10 MolecularWeight: 665.502468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=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=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.[Al+3]

InChI

InChI=1S/C14H10F3NO2.2C9H8O4.Al/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h1-8,18H,(H,19,20);2*2-5H,1H3,(H,11,12);/q;;;+3/p-3