bis(chloranyl)zirconium(2+); 2-tert-butyl-5-methanoyl-4-methyl-phenolate

Systemtic Name: bis(chloranyl)zirconium(2+); 2-tert-butyl-5-methanoyl-4-methyl-phenolate Openeye Name: 2-tert-butyl-5-formyl-4-methyl-phenolate; dichlorozirconium(2+) CAS Name: 2-tert-butyl-5-formyl-4-methylphenolate; dichlorozirconium(2+) IUPAC Name: 2-tert-butyl-5-formyl-4-methylphenolate; dichlorozirconium(2+) Traditional Name: 2-tert-butyl-5-formyl-4-methyl-phenolate; dichlorozirconium(2+) Formula: C24H30Cl2O4Zr MolecularWeight: 544.6226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=O)[O-])C(C)(C)C.CC1=CC(=C(C=C1C=O)[O-])C(C)(C)C.Cl[Zr+2]Cl

Isomeric SMILES

CC1=CC(=C(C=C1C=O)[O-])C(C)(C)C.CC1=CC(=C(C=C1C=O)[O-])C(C)(C)C.Cl[Zr+2]Cl

InChI

InChI=1S/2C12H16O2.2ClH.Zr/c2*1-8-5-10(12(2,3)4)11(14)6-9(8)7-13;;;/h2*5-7,14H,1-4H3;2*1H;/q;;;;+4/p-4