2-tert-butyl-5-methyl-cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+)

Systemtic Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+) Openeye Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide CAS Name: 2-tert-butyl-5-methylcyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; (diphenylmethylene)zirconium(2+) IUPAC Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-methylcyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide Traditional Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide Formula: C44H50Zr MolecularWeight: 670.0918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=[C-]1)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2

Isomeric SMILES

CC1C=C(C=[C-]1)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2

InChI

InChI=1S/C21H25.C13H10.C10H15.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-5-6-9(7-8)10(2,3)4;/h7-10,12H,11H2,1-6H3;1-10H;6-8H,1-4H3;/q-1;;-1;+2