calcium 3-oxidanylquinoline-2-carboxylate

Systemtic Name: calcium 3-oxidanylquinoline-2-carboxylate Openeye Name: calcium 3-hydroxyquinoline-2-carboxylate CAS Name: calcium 3-hydroxy-2-quinolinecarboxylate IUPAC Name: calcium 3-hydroxyquinoline-2-carboxylate Traditional Name: calcium 3-hydroxyquinaldate Formula: C20H12CaN2O6 MolecularWeight: 416.39708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C10H7NO3.Ca/c2*12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14;/h2*1-5,12H,(H,13,14);/q;;+2/p-2