nickel(2+); 3-propan-2-yl-2-propan-2-yloxy-benzoate; 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: nickel(2+); 3-propan-2-yl-2-propan-2-yloxy-benzoate; 2,2,2-tris(chloranyl)ethanoate Openeye Name: nickelous; 2-isopropoxy-3-isopropyl-benzoate; 2,2,2-trichloroacetate CAS Name: nickel(2+); 3-propan-2-yl-2-propan-2-yloxybenzoate; 2,2,2-trichloroacetate IUPAC Name: nickel(2+); 3-propan-2-yl-2-propan-2-yloxybenzoate; 2,2,2-trichloroacetate Traditional Name: nickelous; 2-isopropoxy-3-isopropyl-benzoate; 2,2,2-trichloroacetate Formula: C15H17Cl3NiO5 MolecularWeight: 442.34488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].C(=O)(C(Cl)(Cl)Cl)[O-].[Ni+2]

Isomeric SMILES

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].C(=O)(C(Cl)(Cl)Cl)[O-].[Ni+2]

InChI

InChI=1S/C13H18O3.C2HCl3O2.Ni/c1-8(2)10-6-5-7-11(13(14)15)12(10)16-9(3)4;3-2(4,5)1(6)7;/h5-9H,1-4H3,(H,14,15);(H,6,7);/q;;+2/p-2