butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate; nickel(2+)

Systemtic Name: butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate; nickel(2+) Openeye Name: nickelous; butan-1-amine; 4-(1,1-dimethylhexyl)-2-[5-(1,1-dimethylhexyl)-2-oxido-phenyl]sulfanyl-phenolate CAS Name: 1-butanamine; 4-(2-methylheptan-2-yl)-2-[[5-(2-methylheptan-2-yl)-2-oxidophenyl]thio]phenolate; nickel(2+) IUPAC Name: butan-1-amine; 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidophenyl]sulfanylphenolate; nickel(2+) Traditional Name: nickelous; butylamine; 4-(1,1-dimethylhexyl)-2-[[5-(1,1-dimethylhexyl)-2-oxido-phenyl]thio]phenolate Formula: C32H51NNiO2S MolecularWeight: 572.51124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCC)[O-].CCCCN.[Ni+2]

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCC)[O-].CCCCN.[Ni+2]

InChI

InChI=1S/C28H42O2S.C4H11N.Ni/c1-7-9-11-17-27(3,4)21-13-15-23(29)25(19-21)31-26-20-22(14-16-24(26)30)28(5,6)18-12-10-8-2;1-2-3-4-5;/h13-16,19-20,29-30H,7-12,17-18H2,1-6H3;2-5H2,1H3;/q;;+2/p-2