oxidanylidenezirconium(2+); propan-2-one; 2,4,4-trimethyl-3-oxidanylidene-pentanoate

Systemtic Name: oxidanylidenezirconium(2+); propan-2-one; 2,4,4-trimethyl-3-oxidanylidene-pentanoate Openeye Name: acetone; oxozirconium(2+); 2,4,4-trimethyl-3-oxo-pentanoate CAS Name: oxozirconium(2+); 2-propanone; 2,4,4-trimethyl-3-oxopentanoate IUPAC Name: oxozirconium(2+); propan-2-one; 2,4,4-trimethyl-3-oxopentanoate Traditional Name: acetone; 3-keto-2,4,4-trimethyl-valerate; ketozirconium(2+) Formula: C19H32O8Zr MolecularWeight: 479.67658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H14O3.C3H6O.O.Zr/c2*1-5(7(10)11)6(9)8(2,3)4;1-3(2)4;;/h2*5H,1-4H3,(H,10,11);1-2H3;;/q;;;;+2/p-2