aluminum 5-chloranyl-8-oxidanyl-quinoline-2-carboxylate

Systemtic Name: aluminum 5-chloranyl-8-oxidanyl-quinoline-2-carboxylate Openeye Name: aluminum 5-chloro-8-hydroxy-quinoline-2-carboxylate CAS Name: aluminum 5-chloro-8-hydroxy-2-quinolinecarboxylate IUPAC Name: aluminum 5-chloro-8-hydroxyquinoline-2-carboxylate Traditional Name: aluminum 5-chloro-8-hydroxy-quinaldate Formula: C30H15AlCl3N3O9 MolecularWeight: 694.795338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].C1=CC(=NC2=C(C=CC(=C21)Cl)O)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C10H6ClNO3.Al/c3*11-6-2-4-8(13)9-5(6)1-3-7(12-9)10(14)15;/h3*1-4,13H,(H,14,15);/q;;;+3/p-3