2-tert-butyl-4-ethyl-phenolate; zirconium(2+); chloride

Systemtic Name: 2-tert-butyl-4-ethyl-phenolate; zirconium(2+); chloride Openeye Name: 2-tert-butyl-4-ethyl-phenolate; zirconium(2+); chloride CAS Name: 2-tert-butyl-4-ethylphenolate; zirconium(2+); chloride IUPAC Name: 2-tert-butyl-4-ethylphenolate; zirconium(2+); chloride Traditional Name: 2-tert-butyl-4-ethyl-phenolate; zirconium(2+); chloride Formula: C12H17ClOZr MolecularWeight: 303.93978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+2]

InChI

InChI=1S/C12H18O.ClH.Zr/c1-5-9-6-7-11(13)10(8-9)12(2,3)4;;/h6-8,13H,5H2,1-4H3;1H;/q;;+2/p-2