N,N-dibutylcarbamodithioate; nickel(2+); piperazine-1,4-dicarbodithioate

Systemtic Name: N,N-dibutylcarbamodithioate; nickel(2+); piperazine-1,4-dicarbodithioate Openeye Name: tetranickelous; N,N-dibutylcarbamodithioate; piperazine-1,4-dicarbodithioate CAS Name: N,N-dibutylcarbamodithioate; nickel(2+); piperazine-1,4-dicarbodithioate IUPAC Name: N,N-dibutylcarbamodithioate; nickel(2+); piperazine-1,4-dicarbodithioate Traditional Name: tetranickelous; N,N-dibutylcarbamodithioate; piperazine-1,4-dicarbodithioate Formula: C36H60N8Ni4S16 MolecularWeight: 1352.7288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].C1CN(CCN1C(=S)[S-])C(=S)[S-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/2C9H19NS2.3C6H10N2S4.4Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;3*9-5(10)7-1-2-8(4-3-7)6(11)12;;;;/h2*3-8H2,1-2H3,(H,11,12);3*1-4H2,(H,9,10)(H,11,12);;;;/q;;;;;4*+2/p-8