3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C42H50Cl2Zr2 MolecularWeight: 808.2004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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