aluminum 8-oxidanylidene-5,8a-dihydro-1H-quinoline-2-carboxylate

Systemtic Name: aluminum 8-oxidanylidene-5,8a-dihydro-1H-quinoline-2-carboxylate Openeye Name: aluminum 8-oxo-5,8a-dihydro-1H-quinoline-2-carboxylate CAS Name: aluminum 8-oxo-5,8a-dihydro-1H-quinoline-2-carboxylate IUPAC Name: aluminum 8-oxo-5,8a-dihydro-1H-quinoline-2-carboxylate Traditional Name: aluminum 8-keto-5,8a-dihydro-1H-quinoline-2-carboxylate Formula: C30H24AlN3O9 MolecularWeight: 597.507798

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].[Al+3]

Isomeric SMILES

C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].C1C=CC(=O)C2C1=CC=C(N2)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C10H9NO3.Al/c3*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h3*1,3-5,9,11H,2H2,(H,13,14);/q;;;+3/p-3