bis(fluoranyl)zirconium; (4-methylphenyl)methanol; 2-methylpropan-2-ol; dihydrofluoride

Systemtic Name: bis(fluoranyl)zirconium; (4-methylphenyl)methanol; 2-methylpropan-2-ol; dihydrofluoride Openeye Name: difluorozirconium; 2-methylpropan-2-ol; p-tolylmethanol; dihydrofluoride CAS Name: difluorozirconium; (4-methylphenyl)methanol; 2-methyl-2-propanol; dihydrofluoride IUPAC Name: difluorozirconium; (4-methylphenyl)methanol; 2-methylpropan-2-ol; dihydrofluoride Traditional Name: difluorozirconium; 2-methylpropan-2-ol; p-tolylmethanol; dihydrofluoride Formula: C20H42F4O4Zr MolecularWeight: 513.762693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CO.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.F.F.F[Zr]F

Isomeric SMILES

CC1=CC=C(C=C1)CO.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.F.F.F[Zr]F

InChI

InChI=1S/C8H10O.3C4H10O.4FH.Zr/c1-7-2-4-8(6-9)5-3-7;3*1-4(2,3)5;;;;;/h2-5,9H,6H2,1H3;3*5H,1-3H3;4*1H;/q;;;;;;;;+2/p-2