copper; (Z)-(1-methylidenequinolin-1-ium-2-ylidene)-oxidanyl-methanolate; quinoline-2-carboxylic acid

Systemtic Name: copper; (Z)-(1-methylidenequinolin-1-ium-2-ylidene)-oxidanyl-methanolate; quinoline-2-carboxylic acid Openeye Name: copper; (Z)-hydroxy-(1-methylenequinolin-1-ium-2-ylidene)methanolate; quinoline-2-carboxylic acid CAS Name: copper; (Z)-hydroxy-(1-methylene-2-quinolin-1-iumylidene)methanolate; 2-quinolinecarboxylic acid IUPAC Name: copper; (Z)-hydroxy-(1-methylidenequinolin-1-ium-2-ylidene)methanolate; quinoline-2-carboxylic acid Traditional Name: copper; (Z)-hydroxy-(1-methylenequinolin-1-ium-2-ylidene)methanolate; quinaldic acid Formula: C21H16CuN2O4 MolecularWeight: 423.90874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=[N+]1C(=C(O)[O-])C=CC2=CC=CC=C21.C1=CC=C2C(=C1)C=CC(=N2)C(=O)O.[Cu]

Isomeric SMILES

C=[N+]1/C(=C(\O)/[O-])/C=CC2=CC=CC=C21.C1=CC=C2C(=C1)C=CC(=N2)C(=O)O.[Cu]

InChI

InChI=1S/C11H9NO2.C10H7NO2.Cu/c1-12-9-5-3-2-4-8(9)6-7-10(12)11(13)14;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h2-7H,1H2,(H-,13,14);1-6H,(H,12,13);