1-phenylbutane-1,3-dione; zirconium(4+); bromide

Systemtic Name: 1-phenylbutane-1,3-dione; zirconium(4+); bromide Openeye Name: 1-phenylbutane-1,3-dione; zirconium(4+); bromide CAS Name: 1-phenylbutane-1,3-dione; zirconium(4+); bromide IUPAC Name: 1-phenylbutane-1,3-dione; zirconium(4+); bromide Traditional Name: 1-phenylbutane-1,3-dione; zirconium(4+); bromide Formula: C30H27BrO6Zr MolecularWeight: 654.65978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H9O2.BrH.Zr/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;;/h3*2-7H,1H3;1H;/q3*-1;;+4/p-1