aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)quinolin-8-olate

Systemtic Name: aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)quinolin-8-olate Openeye Name: aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)quinolin-8-olate CAS Name: aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)-8-quinolinolate IUPAC Name: aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)quinolin-8-olate Traditional Name: aluminum; 4-(4-cyanophenyl)phenolate; 2-methyl-5-(trifluoromethyl)quinolin-8-olate Formula: C35H22AlF6N3O3 MolecularWeight: 673.539437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C(F)(F)F)[O-].CC1=NC2=C(C=CC(=C2C=C1)C(F)(F)F)[O-].C1=CC(=CC=C1C#N)C2=CC=C(C=C2)[O-].[Al+3]

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)C(F)(F)F)[O-].CC1=NC2=C(C=CC(=C2C=C1)C(F)(F)F)[O-].C1=CC(=CC=C1C#N)C2=CC=C(C=C2)[O-].[Al+3]

InChI

InChI=1S/C13H9NO.2C11H8F3NO.Al/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12;2*1-6-2-3-7-8(11(12,13)14)4-5-9(16)10(7)15-6;/h1-8,15H;2*2-5,16H,1H3;/q;;;+3/p-3