cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; isopropylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-9H-fluoren-9-ide; isopropylidenezirconium(2+); dichloride Formula: C29H36Cl2Zr-2 MolecularWeight: 546.72614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(C)(C)C1=CC2=C([CH-]C3=C2C=C(C=C3)C(C)(C)C)C=C1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(C)(C)C1=CC2=C([CH-]C3=C2C=C(C=C3)C(C)(C)C)C=C1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C21H25.C5H5.C3H6.2ClH.Zr/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-2-4-5-3-1;1-3-2;;;/h7-13H,1-6H3;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2