2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-propan-2-ylidenecyclopenta-1,3-diene; zirconium(2+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-propan-2-ylidenecyclopenta-1,3-diene; zirconium(2+); chloride Openeye Name: 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-isopropylidenecyclopenta-1,3-diene; zirconium(2+); chloride CAS Name: 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-propan-2-ylidenecyclopenta-1,3-diene; zirconium(2+); chloride IUPAC Name: 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-propan-2-ylidenecyclopenta-1,3-diene; zirconium(2+); chloride Traditional Name: 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 5-isopropylidenecyclopenta-1,3-diene; zirconium(2+); chloride Formula: C35H39ClOZr-2 MolecularWeight: 602.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=[C-]1)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Zr+2]

Isomeric SMILES

CC(=C1C=CC=[C-]1)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Zr+2]

InChI

InChI=1S/C14H22O.C13H9.C8H9.ClH.Zr/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)8-5-3-4-6-8;;/h7-9,15H,1-6H3;1-9H;3-5H,1-2H3;1H;/q;2*-1;;+2/p-2