2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper; 2,9-dimethyl-5-phenyl-1,10-phenanthroline

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper; 2,9-dimethyl-5-phenyl-1,10-phenanthroline Openeye Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-5-phenyl-1,10-phenanthroline CAS Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethanolate; 2,9-dimethyl-5-phenyl-1,10-phenanthroline IUPAC Name: copper; 2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethanolate; 2,9-dimethyl-5-phenyl-1,10-phenanthroline Traditional Name: copper; 2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-5-phenyl-1,10-phenanthroline Formula: C46H39CuN4O6- MolecularWeight: 807.37106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C3C(=C(C=C2C=C1)C4=CC=CC=C4)C=CC(=N3)C.CC1=NC2=C3C(=C(C=C2C=C1)C4=CC=CC=C4)C=CC(=N3)C.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[Cu]

Isomeric SMILES

CC1=NC2=C3C(=C(C=C2C=C1)C4=CC=CC=C4)C=CC(=N3)C.CC1=NC2=C3C(=C(C=C2C=C1)C4=CC=CC=C4)C=CC(=N3)C.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[Cu]

InChI

InChI=1S/2C20H16N2.C6H7O6.Cu/c2*1-13-8-10-16-12-18(15-6-4-3-5-7-15)17-11-9-14(2)22-20(17)19(16)21-13;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-12H,1-2H3;2,5,8,10-11H,1H2;/q;;-1;