cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; chloride

Systemtic Name: cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; chloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; chloride CAS Name: cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; chloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; chloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; chloride Formula: C45H45ClOZr-2 MolecularWeight: 728.5152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O.C13H9.C13H10.C5H5.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;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;;/h7-9,15H,1-6H3;1-9H;1-10H;1-3H,4H2;1H;/q;-1;;-1;;+2/p-2