sodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: sodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate Openeye Name: sodium 2-(4-carboxy-2-quinolyl)quinoline-4-carboxylate CAS Name: sodium 2-(4-carboxy-2-quinolinyl)-4-quinolinecarboxylate IUPAC Name: sodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate Traditional Name: sodium 2-(4-carboxy-2-quinolyl)cinchoninate Formula: C20H11N2NaO4 MolecularWeight: 366.30211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)O.[Na+]

InChI

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