gallium 8-oxidanylquinoline-2-carboxylate

Systemtic Name: gallium 8-oxidanylquinoline-2-carboxylate Openeye Name: gallium 8-hydroxyquinoline-2-carboxylate CAS Name: gallium 8-hydroxy-2-quinolinecarboxylate IUPAC Name: gallium 8-hydroxyquinoline-2-carboxylate Traditional Name: gallium 8-hydroxyquinaldate Formula: C30H18GaN3O9 MolecularWeight: 634.20162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].[Ga+3]

Isomeric SMILES

C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].[Ga+3]

InChI

InChI=1S/3C10H7NO3.Ga/c3*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h3*1-5,12H,(H,13,14);/q;;;+3/p-3