azanide; copper; cyclohexane-1,2-diamine; iron(6+); dodecacyanide

Systemtic Name: azanide; copper; cyclohexane-1,2-diamine; iron(6+); dodecacyanide Openeye Name: azanide; copper; cyclohexane-1,2-diamine; iron(6+); dodecacyanide CAS Name: azanide; copper; cyclohexane-1,2-diamine; iron(6+); dodecacyanide IUPAC Name: azanide; copper; cyclohexane-1,2-diamine; iron(6+); dodecacyanide Traditional Name: (2-aminocyclohexyl)amine; azanide; copper; iron(6+); dodecacyanide Formula: C36H58Cu3Fe2N21- MolecularWeight: 1087.31442

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.[NH2-].[Fe+6].[Fe+6].[Cu].[Cu].[Cu]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.[NH2-].[Fe+6].[Fe+6].[Cu].[Cu].[Cu]

InChI

InChI=1S/4C6H14N2.12CN.3Cu.2Fe.H2N/c4*7-5-3-1-2-4-6(5)8;12*1-2;;;;;;/h4*5-6H,1-4,7-8H2;;;;;;;;;;;;;;;;;;1H2/q;;;;12*-1;;;;2*+6;-1