2-ethylhexanoate; 2-methylprop-2-enoic acid; zirconium(3+)

Systemtic Name: 2-ethylhexanoate; 2-methylprop-2-enoic acid; zirconium(3+) Openeye Name: 2-ethylhexanoate; 2-methylprop-2-enoic acid; zirconium(3+) CAS Name: 2-ethylhexanoate; 2-methyl-2-propenoic acid; zirconium(3+) IUPAC Name: 2-ethylhexanoate; 2-methylprop-2-enoic acid; zirconium(3+) Traditional Name: 2-ethylhexanoate; methacrylic acid; zirconium(3+) Formula: C28H51O8Zr MolecularWeight: 606.92374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(=C)C(=O)O.[Zr+3]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(=C)C(=O)O.[Zr+3]

InChI

InChI=1S/3C8H16O2.C4H6O2.Zr/c3*1-3-5-6-7(4-2)8(9)10;1-3(2)4(5)6;/h3*7H,3-6H2,1-2H3,(H,9,10);1H2,2H3,(H,5,6);/q;;;;+3/p-3