cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1,3-diphenylpropan-2-ylidenezirconium(2+); dibromide

Systemtic Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1,3-diphenylpropan-2-ylidenezirconium(2+); dibromide Openeye Name: (1-benzyl-2-phenyl-ethylidene)zirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; dibromide CAS Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1,3-diphenylpropan-2-ylidenezirconium(2+); dibromide IUPAC Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1,3-diphenylpropan-2-ylidenezirconium(2+); dibromide Traditional Name: (1-benzyl-2-phenyl-ethylidene)zirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; dibromide Formula: C82H88Br2Zr2-2 MolecularWeight: 1415.83212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)CC(=[Zr+2])CC2=CC=CC=C2.C1=CC=C(C=C1)CC(=[Zr+2])CC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)CC(=[Zr+2])CC2=CC=CC=C2.C1=CC=C(C=C1)CC(=[Zr+2])CC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/2C21H25.2C15H14.2C5H5.2BrH.2Zr/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2*1-2-4-5-3-1;;;;/h2*7-10,12H,11H2,1-6H3;2*1-6,8-11H,12-13H2;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2