benzene-1,2-dithiolate; carbon monoxide; iron(2+); nickel(2+); trimethylphosphane

Systemtic Name: benzene-1,2-dithiolate; carbon monoxide; iron(2+); nickel(2+); trimethylphosphane Openeye Name: ferrous; dinickelous; benzene-1,2-dithiolate; carbon monoxide; trimethylphosphane CAS Name: benzene-1,2-dithiolate; carbon monoxide; iron(2+); nickel(2+); trimethylphosphine IUPAC Name: benzene-1,2-dithiolate; carbon monoxide; iron(2+); nickel(2+); trimethylphosphane Traditional Name: ferrous; dinickelous; benzene-1,2-dithiolate; carbon monoxide; trimethylphosphine Formula: C25H30FeNi2OP2S6 MolecularWeight: 774.074422

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Descriptors Computed from Structure

Canonical SMILES:

CP(C)C.CP(C)C.[C-]#[O+].C1=CC=C(C(=C1)[S-])[S-].C1=CC=C(C(=C1)[S-])[S-].C1=CC=C(C(=C1)[S-])[S-].[Fe+2].[Ni+2].[Ni+2]

Isomeric SMILES

CP(C)C.CP(C)C.[C-]#[O+].C1=CC=C(C(=C1)[S-])[S-].C1=CC=C(C(=C1)[S-])[S-].C1=CC=C(C(=C1)[S-])[S-].[Fe+2].[Ni+2].[Ni+2]

InChI

InChI=1S/3C6H6S2.2C3H9P.CO.Fe.2Ni/c3*7-5-3-1-2-4-6(5)8;2*1-4(2)3;1-2;;;/h3*1-4,7-8H;2*1-3H3;;;;/q;;;;;;3*+2/p-6