3-methyl-4-propan-2-yl-phenolate; zirconium(2+); chloride

Systemtic Name: 3-methyl-4-propan-2-yl-phenolate; zirconium(2+); chloride Openeye Name: 4-isopropyl-3-methyl-phenolate; zirconium(2+); chloride CAS Name: 3-methyl-4-propan-2-ylphenolate; zirconium(2+); chloride IUPAC Name: 3-methyl-4-propan-2-ylphenolate; zirconium(2+); chloride Traditional Name: 4-isopropyl-3-methyl-phenolate; zirconium(2+); chloride Formula: C10H13ClOZr MolecularWeight: 275.88662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[O-])C(C)C.[Cl-].[Zr+2]

Isomeric SMILES

CC1=C(C=CC(=C1)[O-])C(C)C.[Cl-].[Zr+2]

InChI

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