aluminum; 5-cyano-2-methyl-quinolin-8-olate; 2-methylphenolate

Systemtic Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 2-methylphenolate Openeye Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 2-methylphenolate CAS Name: aluminum; 5-cyano-2-methyl-8-quinolinolate; 2-methylphenolate IUPAC Name: aluminum; 5-cyano-2-methylquinolin-8-olate; 2-methylphenolate Traditional Name: aluminum; 5-cyano-2-methyl-quinolin-8-olate; 2-methylphenolate Formula: C29H21AlN4O3 MolecularWeight: 500.483578

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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-].CC1=CC=CC=C1[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-].CC1=CC=CC=C1[O-].[Al+3]

InChI

InChI=1S/2C11H8N2O.C7H8O.Al/c2*1-7-2-4-9-8(6-12)3-5-10(14)11(9)13-7;1-6-4-2-3-5-7(6)8;/h2*2-5,14H,1H3;2-5,8H,1H3;/q;;;+3/p-3