aluminum 5-phenylquinoline-8-carboxylate

Systemtic Name: aluminum 5-phenylquinoline-8-carboxylate Openeye Name: aluminum 5-phenylquinoline-8-carboxylate CAS Name: aluminum 5-phenyl-8-quinolinecarboxylate IUPAC Name: aluminum 5-phenylquinoline-8-carboxylate Traditional Name: aluminum 5-phenylquinoline-8-carboxylate Formula: C48H30AlN3O6 MolecularWeight: 771.749838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].C1=CC=C(C=C1)C2=C3C=CC=NC3=C(C=C2)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C16H11NO2.Al/c3*18-16(19)14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-17-15(13)14;/h3*1-10H,(H,18,19);/q;;;+3/p-3