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

Systemtic Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 4-(4-cyanophenyl)phenolate Openeye Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 4-(4-cyanophenyl)phenolate CAS Name: aluminum; 5-cyano-2-methyl-8-quinolinolate; 4-(4-cyanophenyl)phenolate IUPAC Name: aluminum; 5-cyano-2-methylquinolin-8-olate; 4-(4-cyanophenyl)phenolate Traditional Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 4-(4-cyanophenyl)phenolate Formula: C35H22AlN5O3 MolecularWeight: 587.562418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO.2C11H8N2O.Al/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12;2*1-7-2-4-9-8(6-12)3-5-10(14)11(9)13-7;/h1-8,15H;2*2-5,14H,1H3;/q;;;+3/p-3