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

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper; 2,9-dimethyl-1,10-phenanthroline Openeye Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-1,10-phenanthroline CAS Name: copper; 2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethanolate; 2,9-dimethyl-1,10-phenanthroline IUPAC Name: copper; 2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethanolate; 2,9-dimethyl-1,10-phenanthroline Traditional Name: copper; 2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-1,10-phenanthroline Formula: C34H31CuN4O6- MolecularWeight: 655.17914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[Cu]

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[Cu]

InChI

InChI=1S/2C14H12N2.C6H7O6.Cu/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-8H,1-2H3;2,5,8,10-11H,1H2;/q;;-1;