1-tert-butyl-9-pentan-2-yl-fluoren-9-ide; zirconium(2+); dichloride

Systemtic Name: 1-tert-butyl-9-pentan-2-yl-fluoren-9-ide; zirconium(2+); dichloride Openeye Name: 1-tert-butyl-9-(1-methylbutyl)fluoren-9-ide; zirconium(2+); dichloride CAS Name: 1-tert-butyl-9-pentan-2-ylfluoren-9-ide; zirconium(2+); dichloride IUPAC Name: 1-tert-butyl-9-pentan-2-ylfluoren-9-ide; zirconium(2+); dichloride Traditional Name: 1-tert-butyl-9-(1-methylbutyl)fluoren-9-ide; zirconium(2+); dichloride Formula: C44H54Cl2Zr2 MolecularWeight: 836.25356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[C-]1C2=CC=CC=C2C3=C1C(=CC=C3)C(C)(C)C.CCCC(C)[C-]1C2=CC=CC=C2C3=C1C(=CC=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC(C)[C-]1C2=CC=CC=C2C3=C1C(=CC=C3)C(C)(C)C.CCCC(C)[C-]1C2=CC=CC=C2C3=C1C(=CC=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C22H27.2ClH.2Zr/c2*1-6-10-15(2)20-17-12-8-7-11-16(17)18-13-9-14-19(21(18)20)22(3,4)5;;;;/h2*7-9,11-15H,6,10H2,1-5H3;2*1H;;/q2*-1;;;2*+2/p-2