1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride

Systemtic Name: 1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride Openeye Name: 1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride CAS Name: 1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride IUPAC Name: 1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride Traditional Name: 1,3-diphenylpropane-1,3-dione; zirconium(4+); chloride Formula: C45H33ClO6Zr MolecularWeight: 796.41692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Zr+4]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Zr+4]

InChI

InChI=1S/3C15H11O2.ClH.Zr/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h3*1-11H;1H;/q3*-1;;+4/p-1