aluminum 8-oxidanylidene-4H-quinoxaline-2-carboxylate

Systemtic Name: aluminum 8-oxidanylidene-4H-quinoxaline-2-carboxylate Openeye Name: aluminum 8-oxo-4H-quinoxaline-2-carboxylate CAS Name: aluminum 8-oxo-4H-quinoxaline-2-carboxylate IUPAC Name: aluminum 8-oxo-4H-quinoxaline-2-carboxylate Traditional Name: aluminum 8-keto-4H-quinoxaline-2-carboxylate Formula: C27H15AlN6O9 MolecularWeight: 594.424338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].C1=CC(=O)C2=NC(=CNC2=C1)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C9H6N2O3.Al/c3*12-7-3-1-2-5-8(7)11-6(4-10-5)9(13)14;/h3*1-4,10H,(H,13,14);/q;;;+3/p-3