aluminum; 2-methylquinoline-8-carboxylic acid; 2,3,5,6-tetramethylphenolate

Systemtic Name: aluminum; 2-methylquinoline-8-carboxylic acid; 2,3,5,6-tetramethylphenolate Openeye Name: aluminum; 2-methylquinoline-8-carboxylic acid; 2,3,5,6-tetramethylphenolate CAS Name: aluminum; 2-methyl-8-quinolinecarboxylic acid; 2,3,5,6-tetramethylphenolate IUPAC Name: aluminum; 2-methylquinoline-8-carboxylic acid; 2,3,5,6-tetramethylphenolate Traditional Name: aluminum; 2-methylquinoline-8-carboxylic acid; 2,3,5,6-tetramethylphenolate Formula: C52H57AlN2O7 MolecularWeight: 848.999718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H9NO2.3C10H14O.Al/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;3*1-6-5-7(2)9(4)10(11)8(6)3;/h2*2-6H,1H3,(H,13,14);3*5,11H,1-4H3;/q;;;;;+3/p-3