3-phenylpentane-2,4-dione; zirconium(4+); chloride

Systemtic Name: 3-phenylpentane-2,4-dione; zirconium(4+); chloride Openeye Name: 3-phenylpentane-2,4-dione; zirconium(4+); chloride CAS Name: 3-phenylpentane-2,4-dione; zirconium(4+); chloride IUPAC Name: 3-phenylpentane-2,4-dione; zirconium(4+); chloride Traditional Name: 3-phenylpentane-2,4-dione; zirconium(4+); chloride Formula: C33H33ClO6Zr MolecularWeight: 652.28852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Cl-].[Zr+4]

Isomeric SMILES

CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Cl-].[Zr+4]

InChI

InChI=1S/3C11H11O2.ClH.Zr/c3*1-8(12)11(9(2)13)10-6-4-3-5-7-10;;/h3*3-7H,1-2H3;1H;/q3*-1;;+4/p-1