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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C2C=C(C=CC2=[C-]1)C(C)(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)CC1(C=C2C=C(C=CC2=[C-]1)C(C)(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C31H43.2ClH.Zr/c1-21(2)18-31(19-22-12-13-24(28(3,4)5)14-23(22)20-31)27-16-25(29(6,7)8)15-26(17-27)30(9,10)11;;;/h12-17,20-21H,18H2,1-11H3;2*1H;/q-1;;;+2/p-2