dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate

Systemtic Name: dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate Openeye Name: dipotassium 2-(4-carboxylato-2-quinolyl)quinoline-4-carboxylate trihydrate CAS Name: dipotassium 2-(4-carboxylato-2-quinolinyl)-4-quinolinecarboxylate trihydrate IUPAC Name: dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate Traditional Name: dipotassium 2-(4-carboxylato-2-quinolyl)cinchoninate trihydrate Formula: C20H16K2N2O7 MolecularWeight: 474.54684

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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-].O.O.O.[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O4.2K.3H2O/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);;;3*1H2/q;2*+1;;;/p-2