aluminum; 2-methylphenolate; 2-methylquinoline-8-carboxylic acid

Systemtic Name: aluminum; 2-methylphenolate; 2-methylquinoline-8-carboxylic acid Openeye Name: aluminum; 2-methylphenolate; 2-methylquinoline-8-carboxylic acid CAS Name: aluminum; 2-methylphenolate; 2-methyl-8-quinolinecarboxylic acid IUPAC Name: aluminum; 2-methylphenolate; 2-methylquinoline-8-carboxylic acid Traditional Name: aluminum; 2-methylphenolate; 2-methylquinoline-8-carboxylic acid Formula: C43H39AlN2O7 MolecularWeight: 722.760498

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

InChI

InChI=1S/2C11H9NO2.3C7H8O.Al/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;3*1-6-4-2-3-5-7(6)8;/h2*2-6H,1H3,(H,13,14);3*2-5,8H,1H3;/q;;;;;+3/p-3