disodium 2-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate

Systemtic Name: disodium 2-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate Openeye Name: disodium 2-(4-carboxylato-3-quinolyl)quinoline-4-carboxylate CAS Name: disodium 2-(4-carboxylato-3-quinolinyl)-4-quinolinecarboxylate IUPAC Name: disodium 2-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate Traditional Name: disodium 2-(4-carboxylato-3-quinolyl)cinchoninate Formula: C20H10N2Na2O4 MolecularWeight: 388.28394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H12N2O4.2Na/c23-19(24)13-9-17(22-16-8-4-1-5-11(13)16)14-10-21-15-7-3-2-6-12(15)18(14)20(25)26;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2