4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate; nickel(2+); octan-3-amine

Systemtic Name: 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate; nickel(2+); octan-3-amine Openeye Name: nickelous; 4-(1,1-dimethylhexyl)-2-[5-(1,1-dimethylhexyl)-2-oxido-phenyl]sulfanyl-phenolate; octan-3-amine CAS Name: 4-(2-methylheptan-2-yl)-2-[[5-(2-methylheptan-2-yl)-2-oxidophenyl]thio]phenolate; nickel(2+); 3-octanamine IUPAC Name: 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidophenyl]sulfanylphenolate; nickel(2+); octan-3-amine Traditional Name: nickelous; 4-(1,1-dimethylhexyl)-2-[[5-(1,1-dimethylhexyl)-2-oxido-phenyl]thio]phenolate; 1-ethylhexylamine Formula: C36H59NNiO2S MolecularWeight: 628.61756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O2S.C8H19N.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;1-3-5-6-7-8(9)4-2;/h13-16,19-20,29-30H,7-12,17-18H2,1-6H3;8H,3-7,9H2,1-2H3;/q;;+2/p-2