copper; dioxidanium; [(Z)-(3-methoxyphenyl)methylideneamino]-pyridin-4-ylcarbonyl-azanide; 1,10-phenanthroline; ethanoate

Systemtic Name: copper; dioxidanium; [(Z)-(3-methoxyphenyl)methylideneamino]-pyridin-4-ylcarbonyl-azanide; 1,10-phenanthroline; ethanoate Openeye Name: copper; dioxonium; [(Z)-(3-methoxyphenyl)methyleneamino]-(pyridine-4-carbonyl)azanide; 1,10-phenanthroline; acetate CAS Name: copper; dioxonium; [(Z)-(3-methoxyphenyl)methylideneamino]-[oxo(pyridin-4-yl)methyl]azanide; 1,10-phenanthroline; acetate IUPAC Name: copper; dioxidanium; [(Z)-(3-methoxyphenyl)methylideneamino]-(pyridine-4-carbonyl)azanide; 1,10-phenanthroline; acetate Traditional Name: cupric; dioxonium; isonicotinoyl-[(Z)-m-anisylideneamino]azanide; 1,10-phenanthroline; acetate Formula: C28H29CuN5O6+2 MolecularWeight: 595.10576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC=CC(=C1)C=N[N-]C(=O)C2=CC=NC=C2.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[OH3+].[Cu+2]

Isomeric SMILES

CC(=O)[O-].COC1=CC=CC(=C1)/C=N\[N-]C(=O)C2=CC=NC=C2.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[OH3+].[Cu+2]

InChI

InChI=1S/C14H13N3O2.C12H8N2.C2H4O2.Cu.2H2O/c1-19-13-4-2-3-11(9-13)10-16-17-14(18)12-5-7-15-8-6-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2(3)4;;;/h2-10H,1H3,(H,17,18);1-8H;1H3,(H,3,4);;2*1H2/q;;;+2;;/b16-10-;;;;;