tricopper; dioxidanium; azanide; (2,4,4-tricyano-3-ethoxy-buta-1,3-dienylidene)azanide

Systemtic Name: tricopper; dioxidanium; azanide; (2,4,4-tricyano-3-ethoxy-buta-1,3-dienylidene)azanide Openeye Name: tricopper; dioxonium; azanide; (2,4,4-tricyano-3-ethoxy-buta-1,3-dienylidene)azanide CAS Name: tricopper; dioxonium; azanide; (2,4,4-tricyano-3-ethoxybuta-1,3-dienylidene)azanide IUPAC Name: tricopper; dioxidanium; azanide; (2,4,4-tricyano-3-ethoxybuta-1,3-dienylidene)azanide Traditional Name: tricupric; dioxonium; azanide; (2,4,4-tricyano-3-ethoxy-buta-1,3-dienylidene)azanide Formula: C18H20Cu3N10O4+4 MolecularWeight: 631.054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C#N)C(=C=[N-])C#N.CCOC(=C(C#N)C#N)C(=C=[N-])C#N.[NH2-].[NH2-].[OH3+].[OH3+].[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

CCOC(=C(C#N)C#N)C(=C=[N-])C#N.CCOC(=C(C#N)C#N)C(=C=[N-])C#N.[NH2-].[NH2-].[OH3+].[OH3+].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/2C9H5N4O.3Cu.2H2N.2H2O/c2*1-2-14-9(7(3-10)4-11)8(5-12)6-13;;;;;;;/h2*2H2,1H3;;;;4*1H2/q2*-1;3*+2;2*-1;;/p+2