butan-1-amine; 4-(2-methylheptan-2-yl)phenolate; nickel(2+)

Systemtic Name: butan-1-amine; 4-(2-methylheptan-2-yl)phenolate; nickel(2+) Openeye Name: nickelous; butan-1-amine; 4-(1,1-dimethylhexyl)phenolate CAS Name: 1-butanamine; 4-(2-methylheptan-2-yl)phenolate; nickel(2+) IUPAC Name: butan-1-amine; 4-(2-methylheptan-2-yl)phenolate; nickel(2+) Traditional Name: nickelous; butylamine; 4-(1,1-dimethylhexyl)phenolate Formula: C32H53NNiO2 MolecularWeight: 542.46212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H22O.C4H11N.Ni/c2*1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12;1-2-3-4-5;/h2*7-10,15H,4-6,11H2,1-3H3;2-5H2,1H3;/q;;;+2/p-2