2-butan-2-ylphenolate; zirconium(2+); chloride

Systemtic Name: 2-butan-2-ylphenolate; zirconium(2+); chloride Openeye Name: 2-sec-butylphenolate; zirconium(2+); chloride CAS Name: 2-butan-2-ylphenolate; zirconium(2+); chloride IUPAC Name: 2-butan-2-ylphenolate; zirconium(2+); chloride Traditional Name: 2-sec-butylphenolate; zirconium(2+); chloride Formula: C10H13ClOZr MolecularWeight: 275.88662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.ClH.Zr/c1-3-8(2)9-6-4-5-7-10(9)11;;/h4-8,11H,3H2,1-2H3;1H;/q;;+2/p-2