dicopper; cobalt(3+); iron(3+); methanol; 2-(2-oxidanidylethylamino)ethanolate; tetrathiocyanate

Systemtic Name: dicopper; cobalt(3+); iron(3+); methanol; 2-(2-oxidanidylethylamino)ethanolate; tetrathiocyanate Openeye Name: dicobaltic; dicopper; diferric; methanol; 2-(2-oxidoethylamino)ethanolate; tetrathiocyanate CAS Name: dicopper; cobalt(3+); iron(3+); methanol; 2-(2-oxidoethylamino)ethanolate; tetrathiocyanate IUPAC Name: dicopper; cobalt(3+); iron(3+); methanol; 2-(2-oxidoethylamino)ethanolate; tetrathiocyanate Traditional Name: dicobaltic; dicupric; diferric; methanol; 2-(2-oxidoethylamino)ethanolate; tetrathiocyanate Formula: C30H62Co2Cu2Fe2N10O14S4 MolecularWeight: 1271.78028

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Descriptors Computed from Structure

Canonical SMILES:

CO.CO.C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Fe+3].[Fe+3].[Co+3].[Co+3].[Cu+2].[Cu+2]

Isomeric SMILES

CO.CO.C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(C[O-])NCC[O-].C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Fe+3].[Fe+3].[Co+3].[Co+3].[Cu+2].[Cu+2]

InChI

InChI=1S/6C4H9NO2.4CHNS.2CH4O.2Co.2Cu.2Fe/c6*6-3-1-5-2-4-7;4*2-1-3;2*1-2;;;;;;/h6*5H,1-4H2;4*3H;2*2H,1H3;;;;;;/q6*-2;;;;;;;2*+3;2*+2;2*+3/p-4