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

Systemtic Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C33H39Cl2Zr- MolecularWeight: 597.79276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC([C-]=C2C=C1)(C3=CC=CC=C3)C4=CC(=CC(=C4)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)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C33H39.2ClH.Zr/c1-30(2,3)26-16-15-23-21-33(22-24(23)17-26,25-13-11-10-12-14-25)29-19-27(31(4,5)6)18-28(20-29)32(7,8)9;;;/h10-20,22H,1-9H3;2*1H;/q-1;;;+2/p-2