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

Systemtic Name: ethanal; oxidanylidenezirconium(2+); 2,4,4-trimethyl-3-oxidanylidene-pentanoate Openeye Name: acetaldehyde; oxozirconium(2+); 2,4,4-trimethyl-3-oxo-pentanoate CAS Name: acetaldehyde; oxozirconium(2+); 2,4,4-trimethyl-3-oxopentanoate IUPAC Name: acetaldehyde; oxozirconium(2+); 2,4,4-trimethyl-3-oxopentanoate Traditional Name: acetaldehyde; 3-keto-2,4,4-trimethyl-valerate; ketozirconium(2+) Formula: C18H30O8Zr MolecularWeight: 465.65

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H14O3.C2H4O.O.Zr/c2*1-5(7(10)11)6(9)8(2,3)4;1-2-3;;/h2*5H,1-4H3,(H,10,11);2H,1H3;;/q;;;;+2/p-2