N2,N5-dimethanidyl-2,5-dimethyl-hexane-2,5-diamine; ethane-1,1-diol; methanol; nickel(2+)

Systemtic Name: N2,N5-dimethanidyl-2,5-dimethyl-hexane-2,5-diamine; ethane-1,1-diol; methanol; nickel(2+) Openeye Name: tetranickelous; N2,N5-dimethanidyl-2,5-dimethyl-hexane-2,5-diamine; ethane-1,1-diol; methanol CAS Name: N2,N5-dimethanidyl-2,5-dimethylhexane-2,5-diamine; ethane-1,1-diol; methanol; nickel(2+) IUPAC Name: 2-N,5-N-dimethanidyl-2,5-dimethylhexane-2,5-diamine; ethane-1,1-diol; methanol; nickel(2+) Traditional Name: tetranickelous; ethane-1,1-diol; methanidyl-[4-(methanidylamino)-1,1,4-trimethyl-pentyl]amine; methanol Formula: C48H116N8Ni4O8 MolecularWeight: 1168.25704

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CO.CO.CO.CO.[Ni+2].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

CC(O)O.CC(O)O.CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CC(C)(CCC(C)(C)N[CH2-])N[CH2-].CO.CO.CO.CO.[Ni+2].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/4C10H22N2.2C2H6O2.4CH4O.4Ni/c4*1-9(2,11-5)7-8-10(3,4)12-6;2*1-2(3)4;4*1-2;;;;/h4*11-12H,5-8H2,1-4H3;2*2-4H,1H3;4*2H,1H3;;;;/q4*-2;;;;;;;4*+2