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

Systemtic Name: 4-butan-2-ylphenolate; zirconium(2+); chloride Openeye Name: 4-sec-butylphenolate; zirconium(2+); chloride CAS Name: 4-butan-2-ylphenolate; zirconium(2+); chloride IUPAC Name: 4-butan-2-ylphenolate; zirconium(2+); chloride Traditional Name: 4-sec-butylphenolate; zirconium(2+); chloride Formula: C10H13ClOZr MolecularWeight: 275.88662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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