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

Systemtic Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride Formula: C58H72Cl2Zr2-2 MolecularWeight: 1022.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.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.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.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.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C5H5.2C3H6.2ClH.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*1-2-4-5-3-1;2*1-3-2;;;;/h2*7-10,12H,11H2,1-6H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2