3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(3+); dichloride

Systemtic Name: 3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(3+); dichloride Openeye Name: 3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(3+); dichloride CAS Name: 3,6-ditert-butyl-1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; zirconium(3+); dichloride IUPAC Name: 3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(3+); dichloride Traditional Name: 3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(3+); dichloride Formula: C26H29Cl2Zr MolecularWeight: 503.63846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C([CH-]C3=C(C=C(C=C32)C(C)(C)C)C4=CC=CC4)C=C1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC(C)(C)C1=CC2=C([CH-]C3=C(C=C(C=C32)C(C)(C)C)C4=CC=CC4)C=C1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C26H29.2ClH.Zr/c1-25(2,3)19-12-11-18-13-23-21(17-9-7-8-10-17)15-20(26(4,5)6)16-24(23)22(18)14-19;;;/h7-9,11-16H,10H2,1-6H3;2*1H;/q-1;;;+3/p-2