butan-1-amine; nickel(2+); 4-octyl-2-(5-octyl-2-oxidanidyl-phenyl)sulfanyl-phenolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)CCCCCCCC)[O-].CCCCN.[Ni+2]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)CCCCCCCC)[O-].CCCCN.[Ni+2]

InChI

InChI=1S/C28H42O2S.C4H11N.Ni/c1-3-5-7-9-11-13-15-23-17-19-25(29)27(21-23)31-28-22-24(18-20-26(28)30)16-14-12-10-8-6-4-2;1-2-3-4-5;/h17-22,29-30H,3-16H2,1-2H3;2-5H2,1H3;/q;;+2/p-2