iron(3+); nickel(2+); N-[6-(sulfanidylcarbothioylamino)hexyl]carbamodithioate

Systemtic Name: iron(3+); nickel(2+); N-[6-(sulfanidylcarbothioylamino)hexyl]carbamodithioate Openeye Name: diferric trinickelous N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate CAS Name: iron(3+); nickel(2+); N-[6-[[sulfanylidene(sulfido)methyl]amino]hexyl]carbamodithioate IUPAC Name: iron(3+); nickel(2+); N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate Traditional Name: diferric trinickelous N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate Formula: C48H84Fe2N12Ni3S24 MolecularWeight: 1886.59116

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].[Fe+3].[Fe+3].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].C(CCCNC(=S)[S-])CCNC(=S)[S-].[Fe+3].[Fe+3].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/6C8H16N2S4.2Fe.3Ni/c6*11-7(12)9-5-3-1-2-4-6-10-8(13)14;;;;;/h6*1-6H2,(H2,9,11,12)(H2,10,13,14);;;;;/q;;;;;;2*+3;3*+2/p-12