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

Systemtic Name: 2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C92H108Cl2Zr2-2 MolecularWeight: 1467.19592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3[CH-]2)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C23H27.2ClH.2Zr/c4*1-22(2,3)20-13-19(14-21(15-20)23(4,5)6)18-11-16-9-7-8-10-17(16)12-18;;;;/h4*7-15H,1-6H3;2*1H;;/q4*-1;;;2*+2/p-2