2,4-ditert-butylphenolate; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride Openeye Name: 2,4-ditert-butylphenolate; 1H-inden-1-ide; isopropylidenezirconium(2+); chloride CAS Name: 2,4-ditert-butylphenolate; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 1H-inden-1-ide; propan-2-ylidenezirconium(2+); chloride Traditional Name: 2,4-ditert-butylphenolate; 1H-inden-1-ide; isopropylidenezirconium(2+); chloride Formula: C35H41ClOZr-2 MolecularWeight: 604.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-]

InChI

InChI=1S/C14H22O.2C9H7.C3H6.ClH.Zr/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;/h7-9,15H,1-6H3;2*1-7H;1-2H3;1H;/q;2*-1;;;+2/p-2