disodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid

Systemtic Name: disodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Openeye Name: disodium 2-(4-carboxy-2-quinolyl)quinoline-4-carboxylic acid CAS Name: disodium 2-(4-carboxy-2-quinolinyl)-4-quinolinecarboxylic acid IUPAC Name: disodium 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Traditional Name: disodium 2-(4-carboxy-2-quinolyl)cinchoninic acid Formula: C20H12N2Na2O4+2 MolecularWeight: 390.29982

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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+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O4.2Na/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;2*+1