dodecanoate; nickel(2+); 2-(2,2,6-trimethylpiperidin-4-yl)decanedioic acid

Systemtic Name: dodecanoate; nickel(2+); 2-(2,2,6-trimethylpiperidin-4-yl)decanedioic acid Openeye Name: dinickelous; dodecanoate; 2-(2,2,6-trimethyl-4-piperidyl)decanedioic acid CAS Name: dodecanoate; nickel(2+); 2-(2,2,6-trimethyl-4-piperidinyl)decanedioic acid IUPAC Name: dodecanoate; nickel(2+); 2-(2,2,6-trimethylpiperidin-4-yl)decanedioic acid Traditional Name: dinickelous; laurate; 2-(2,2,6-trimethyl-4-piperidyl)sebacic acid Formula: C84H158N2Ni2O16 MolecularWeight: 1569.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CC1CC(CC(N1)(C)C)C(CCCCCCCC(=O)O)C(=O)O.CC1CC(CC(N1)(C)C)C(CCCCCCCC(=O)O)C(=O)O.[Ni+2].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CC1CC(CC(N1)(C)C)C(CCCCCCCC(=O)O)C(=O)O.CC1CC(CC(N1)(C)C)C(CCCCCCCC(=O)O)C(=O)O.[Ni+2].[Ni+2]

InChI

InChI=1S/2C18H33NO4.4C12H24O2.2Ni/c2*1-13-11-14(12-18(2,3)19-13)15(17(22)23)9-7-5-4-6-8-10-16(20)21;4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*13-15,19H,4-12H2,1-3H3,(H,20,21)(H,22,23);4*2-11H2,1H3,(H,13,14);;/q;;;;;;2*+2/p-4