2-(2,2-dimethylpropyl)phenolate; zirconium(2+); chloride

Systemtic Name: 2-(2,2-dimethylpropyl)phenolate; zirconium(2+); chloride Openeye Name: 2-(2,2-dimethylpropyl)phenolate; zirconium(2+); chloride CAS Name: 2-(2,2-dimethylpropyl)phenolate; zirconium(2+); chloride IUPAC Name: 2-(2,2-dimethylpropyl)phenolate; zirconium(2+); chloride Traditional Name: 2-neopentylphenolate; zirconium(2+); chloride Formula: C11H15ClOZr MolecularWeight: 289.9132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=CC=C1[O-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)CC1=CC=CC=C1[O-].[Cl-].[Zr+2]

InChI

InChI=1S/C11H16O.ClH.Zr/c1-11(2,3)8-9-6-4-5-7-10(9)12;;/h4-7,12H,8H2,1-3H3;1H;/q;;+2/p-2