bis(chloranyl)zirconium; cyclopentane; 2,4-ditert-butyl-6-(pyrrolidin-1-ylmethyl)phenol

Systemtic Name: bis(chloranyl)zirconium; cyclopentane; 2,4-ditert-butyl-6-(pyrrolidin-1-ylmethyl)phenol Openeye Name: cyclopentane; 2,4-ditert-butyl-6-(pyrrolidin-1-ylmethyl)phenol; dichlorozirconium CAS Name: cyclopentane; 2,4-ditert-butyl-6-(1-pyrrolidinylmethyl)phenol; dichlorozirconium IUPAC Name: cyclopentane; 2,4-ditert-butyl-6-(pyrrolidin-1-ylmethyl)phenol; dichlorozirconium Traditional Name: cyclopentane; 2,4-ditert-butyl-6-(pyrrolidinomethyl)phenol; dichlorozirconium Formula: C24H41Cl2NOZr MolecularWeight: 521.71844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCC2.C1CCCC1.Cl[Zr]Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCC2.C1CCCC1.Cl[Zr]Cl

InChI

InChI=1S/C19H31NO.C5H10.2ClH.Zr/c1-18(2,3)15-11-14(13-20-9-7-8-10-20)17(21)16(12-15)19(4,5)6;1-2-4-5-3-1;;;/h11-12,21H,7-10,13H2,1-6H3;1-5H2;2*1H;/q;;;;+2/p-2