carbanide; copper(1+); cyclohexane-1,2-diamine; iron(2+); iron(6+); octadecacyanide

Systemtic Name: carbanide; copper(1+); cyclohexane-1,2-diamine; iron(2+); iron(6+); octadecacyanide Openeye Name: hexacuprous; tetraferrous; carbanide; cyclohexane-1,2-diamine; iron(6+); octadecacyanide CAS Name: carbanide; copper(1+); cyclohexane-1,2-diamine; iron(2+); iron(6+); octadecacyanide IUPAC Name: carbanide; copper(1+); cyclohexane-1,2-diamine; iron(2+); iron(6+); octadecacyanide Traditional Name: hexacuprous; tetraferrous; (2-aminocyclohexyl)amine; carbanide; iron(6+); octadecacyanide Formula: C62H108Cu6Fe7N30+6 MolecularWeight: 2045.91292

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[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.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+6].[Fe+6].[Fe+6].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[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.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+6].[Fe+6].[Fe+6].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+]

InChI

InChI=1S/6C6H14N2.18CN.8CH3.6Cu.7Fe/c6*7-5-3-1-2-4-6(5)8;18*1-2;;;;;;;;;;;;;;;;;;;;;/h6*5-6H,1-4,7-8H2;;;;;;;;;;;;;;;;;;;8*1H3;;;;;;;;;;;;;/q;;;;;;26*-1;6*+1;4*+2;3*+6