2,6-ditert-butyl-4-ethyl-phenolate; zirconium(2+); chloride

Systemtic Name: 2,6-ditert-butyl-4-ethyl-phenolate; zirconium(2+); chloride Openeye Name: 2,6-ditert-butyl-4-ethyl-phenolate; zirconium(2+); chloride CAS Name: 2,6-ditert-butyl-4-ethylphenolate; zirconium(2+); chloride IUPAC Name: 2,6-ditert-butyl-4-ethylphenolate; zirconium(2+); chloride Traditional Name: 2,6-ditert-butyl-4-ethyl-phenolate; zirconium(2+); chloride Formula: C16H25ClOZr MolecularWeight: 360.0461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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