iron(3+); nickel(2+); piperazine-1,4-dicarbodithioate

Systemtic Name: iron(3+); nickel(2+); piperazine-1,4-dicarbodithioate Openeye Name: diferric trinickelous piperazine-1,4-dicarbodithioate CAS Name: iron(3+); nickel(2+); piperazine-1,4-dicarbodithioate IUPAC Name: iron(3+); nickel(2+); piperazine-1,4-dicarbodithioate Traditional Name: diferric trinickelous piperazine-1,4-dicarbodithioate Formula: C36H48Fe2N12Ni3S24 MolecularWeight: 1706.17692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].[Fe+3].[Fe+3].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].[Fe+3].[Fe+3].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/6C6H10N2S4.2Fe.3Ni/c6*9-5(10)7-1-2-8(4-3-7)6(11)12;;;;;/h6*1-4H2,(H,9,10)(H,11,12);;;;;/q;;;;;;2*+3;3*+2/p-12