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

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper; 2,9-dimethyl-1,10-phenanthrolin-5-amine Openeye Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-1,10-phenanthrolin-5-amine CAS Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethanolate; 2,9-dimethyl-1,10-phenanthrolin-5-amine IUPAC Name: copper; 2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethanolate; 2,9-dimethyl-1,10-phenanthrolin-5-amine Traditional Name: copper; 2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethanolate; (2,9-dimethyl-1,10-phenanthrolin-5-yl)amine Formula: C34H33CuN6O6- MolecularWeight: 685.20842

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C14H13N3.C6H7O6.Cu/c2*1-8-3-5-10-7-12(15)11-6-4-9(2)17-14(11)13(10)16-8;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-7H,15H2,1-2H3;2,5,8,10-11H,1H2;/q;;-1;