2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid; sodium

Systemtic Name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid; sodium Openeye Name: 2-(4-carboxy-2-quinolyl)quinoline-4-carboxylic acid; sodium CAS Name: 2-(4-carboxy-2-quinolinyl)-4-quinolinecarboxylic acid; sodium IUPAC Name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid; sodium Traditional Name: 2-(4-carboxy-2-quinolyl)cinchoninic acid; sodium Formula: C20H12N2NaO4 MolecularWeight: 367.31005

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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);