carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+)

Systemtic Name: carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+) Openeye Name: carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+) CAS Name: carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+) IUPAC Name: carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+) Traditional Name: carbanide; 2,7-ditert-butyl-9-cyclohexyl-1,9-dihydrofluoren-1-ide; zirconium(4+) Formula: C56H76Zr MolecularWeight: 840.42664

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2C4CCCCC4)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2C4CCCCC4)C(C)(C)C.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2C4CCCCC4)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2C4CCCCC4)C(C)(C)C.[Zr+4]

InChI

InChI=1S/2C27H35.2CH3.Zr/c2*1-26(2,3)19-12-14-21-22-15-13-20(27(4,5)6)17-24(22)25(23(21)16-19)18-10-8-7-9-11-18;;;/h2*12-16,18,25H,7-11H2,1-6H3;2*1H3;/q4*-1;+4