2-ethylhexanoate; nickel(2+); (Z)-4-oxidanylidenepent-2-en-2-olate

Systemtic Name: 2-ethylhexanoate; nickel(2+); (Z)-4-oxidanylidenepent-2-en-2-olate Openeye Name: nickelous; 2-ethylhexanoate; (Z)-4-oxopent-2-en-2-olate CAS Name: 2-ethylhexanoate; nickel(2+); (Z)-4-oxo-2-penten-2-olate IUPAC Name: 2-ethylhexanoate; nickel(2+); (Z)-4-oxopent-2-en-2-olate Traditional Name: nickelous; 2-ethylhexanoate; (Z)-4-ketopent-2-en-2-olate Formula: C13H22NiO4 MolecularWeight: 301.00478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C5H8O2.Ni/c1-3-5-6-7(4-2)8(9)10;1-4(6)3-5(2)7;/h7H,3-6H2,1-2H3,(H,9,10);3,6H,1-2H3;/q;;+2/p-2/b;4-3-;