2-dodecylbenzoate; nickel(2+); 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-dodecylbenzoate; nickel(2+); 2,2,2-tris(fluoranyl)ethanoate Openeye Name: nickelous; 2-dodecylbenzoate; 2,2,2-trifluoroacetate CAS Name: 2-dodecylbenzoate; nickel(2+); 2,2,2-trifluoroacetate IUPAC Name: 2-dodecylbenzoate; nickel(2+); 2,2,2-trifluoroacetate Traditional Name: nickelous; 2-laurylbenzoate; 2,2,2-trifluoroacetate Formula: C21H29F3NiO4 MolecularWeight: 461.14117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(=O)[O-].C(=O)(C(F)(F)F)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(=O)[O-].C(=O)(C(F)(F)F)[O-].[Ni+2]

InChI

InChI=1S/C19H30O2.C2HF3O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19(20)21;3-2(4,5)1(6)7;/h12-13,15-16H,2-11,14H2,1H3,(H,20,21);(H,6,7);/q;;+2/p-2