2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2,5-ditert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C31H43Cl2Zr- MolecularWeight: 577.80312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C31H43.2ClH.Zr/c1-27(2,3)23-14-13-21-19-31(30(10,11)12,20-22(21)15-23)26-17-24(28(4,5)6)16-25(18-26)29(7,8)9;;;/h13-18,20H,1-12H3;2*1H;/q-1;;;+2/p-2