butan-1-amine; 2-(4-tert-butyloctyl)phenolate; nickel(2+)

Systemtic Name: butan-1-amine; 2-(4-tert-butyloctyl)phenolate; nickel(2+) Openeye Name: nickelous; butan-1-amine; 2-(4-tert-butyloctyl)phenolate CAS Name: 1-butanamine; 2-(4-tert-butyloctyl)phenolate; nickel(2+) IUPAC Name: butan-1-amine; 2-(4-tert-butyloctyl)phenolate; nickel(2+) Traditional Name: nickelous; butylamine; 2-(4-tert-butyloctyl)phenolate Formula: C40H69NNiO2 MolecularWeight: 654.67476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC1=CC=CC=C1[O-])C(C)(C)C.CCCCC(CCCC1=CC=CC=C1[O-])C(C)(C)C.CCCCN.[Ni+2]

Isomeric SMILES

CCCCC(CCCC1=CC=CC=C1[O-])C(C)(C)C.CCCCC(CCCC1=CC=CC=C1[O-])C(C)(C)C.CCCCN.[Ni+2]

InChI

InChI=1S/2C18H30O.C4H11N.Ni/c2*1-5-6-12-16(18(2,3)4)13-9-11-15-10-7-8-14-17(15)19;1-2-3-4-5;/h2*7-8,10,14,16,19H,5-6,9,11-13H2,1-4H3;2-5H2,1H3;/q;;;+2/p-2