methanal; nickel(2+); 4-(2,4,4-trimethylpentan-2-yl)phenol; diethanoate

Systemtic Name: methanal; nickel(2+); 4-(2,4,4-trimethylpentan-2-yl)phenol; diethanoate Openeye Name: nickelous; formaldehyde; 4-(1,1,3,3-tetramethylbutyl)phenol; diacetate CAS Name: formaldehyde; nickel(2+); 4-(2,4,4-trimethylpentan-2-yl)phenol; diacetate IUPAC Name: formaldehyde; nickel(2+); 4-(2,4,4-trimethylpentan-2-yl)phenol; diacetate Traditional Name: nickelous; formaldehyde; 4-(1,1,3,3-tetramethylbutyl)phenol; diacetate Formula: C19H30NiO6 MolecularWeight: 413.1313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O.2C2H4O2.CH2O.Ni/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;2*1-2(3)4;1-2;/h6-9,15H,10H2,1-5H3;2*1H3,(H,3,4);1H2;/q;;;;+2/p-2