ethanoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; zirconium(2+)

Systemtic Name: ethanoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; zirconium(2+) Openeye Name: acetic acid; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) CAS Name: acetic acid; (Z)-4-oxo-2-penten-2-olate; zirconium(2+) IUPAC Name: acetic acid; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) Traditional Name: acetic acid; (Z)-4-ketopent-2-en-2-olate; zirconium(2+) Formula: C12H18O6Zr MolecularWeight: 349.49172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O2.C2H4O2.Zr/c2*1-4(6)3-5(2)7;1-2(3)4;/h2*3,6H,1-2H3;1H3,(H,3,4);/q;;;+2/p-2/b2*4-3-;;