cyclopenta-1,3-diene; 2-ethylhexanoate; nickel(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-ethylhexanoate; nickel(2+) Openeye Name: nickelous; cyclopenta-1,3-diene; 2-ethylhexanoate CAS Name: cyclopenta-1,3-diene; 2-ethylhexanoate; nickel(2+) IUPAC Name: cyclopenta-1,3-diene; 2-ethylhexanoate; nickel(2+) Traditional Name: nickelous; cyclopenta-1,3-diene; 2-ethylhexanoate Formula: C21H36NiO4 MolecularWeight: 411.20154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C1C=CC=C1.[Ni+2]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C1C=CC=C1.[Ni+2]

InChI

InChI=1S/2C8H16O2.C5H6.Ni/c2*1-3-5-6-7(4-2)8(9)10;1-2-4-5-3-1;/h2*7H,3-6H2,1-2H3,(H,9,10);1-4H,5H2;/q;;;+2/p-2