2,4-bis(2-methylbutan-2-yl)phenolate; zirconium(2+); chloride

Systemtic Name: 2,4-bis(2-methylbutan-2-yl)phenolate; zirconium(2+); chloride Openeye Name: 2,4-bis(1,1-dimethylpropyl)phenolate; zirconium(2+); chloride CAS Name: 2,4-bis(2-methylbutan-2-yl)phenolate; zirconium(2+); chloride IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenolate; zirconium(2+); chloride Traditional Name: 2,4-ditert-amylphenolate; zirconium(2+); chloride Formula: C16H25ClOZr MolecularWeight: 360.0461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O.ClH.Zr/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2;;/h9-11,17H,7-8H2,1-6H3;1H;/q;;+2/p-2