2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(4+); dichloride Formula: C42H50Cl2Zr MolecularWeight: 716.9764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H25.2ClH.Zr/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;;;/h2*7-13H,1-6H3;2*1H;/q2*-1;;;+4/p-2