3,5-ditert-butylphenolate; zirconium(2+)

Systemtic Name: 3,5-ditert-butylphenolate; zirconium(2+) Openeye Name: 3,5-ditert-butylphenolate; zirconium(2+) CAS Name: 3,5-ditert-butylphenolate; zirconium(2+) IUPAC Name: 3,5-ditert-butylphenolate; zirconium(2+) Traditional Name: 3,5-ditert-butylphenolate; zirconium(2+) Formula: C28H42O2Zr MolecularWeight: 501.85588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H22O.Zr/c2*1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;/h2*7-9,15H,1-6H3;/q;;+2/p-2