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

Systemtic Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-methyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5-methyl-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-methyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-methyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5-methyl-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C28H37Cl2Zr- MolecularWeight: 535.72338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C=C2C=C(C=CC2=[C-]1)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC(C)C1(C=C2C=C(C=CC2=[C-]1)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C28H37.2ClH.Zr/c1-10-20(3)28(17-21-12-11-19(2)13-22(21)18-28)25-15-23(26(4,5)6)14-24(16-25)27(7,8)9;;;/h11-16,18,20H,10H2,1-9H3;2*1H;/q-1;;;+2/p-2