2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate; copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite Openeye Name: cuprous; 2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite CAS Name: copper(1+); 2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethanolate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite IUPAC Name: copper(1+); 2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethanolate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite Traditional Name: cuprous; 2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethanolate; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; sulfite Formula: C58H47CuN4O9S-2 MolecularWeight: 1039.62618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[O-]S(=O)[O-].[Cu+]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C(C(C1C(=O)C(=C(O1)O)O)O)[O-].[O-]S(=O)[O-].[Cu+]

InChI

InChI=1S/2C26H20N2.C6H7O6.Cu.H2O3S/c2*1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;7-1-2(8)5-3(9)4(10)6(11)12-5;;1-4(2)3/h2*3-16H,1-2H3;2,5,8,10-11H,1H2;;(H2,1,2,3)/q;;-1;+1;/p-2