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

Systemtic Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C108H140Cl2Zr2-2 MolecularWeight: 1691.6212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C27H35.2ClH.2Zr/c4*1-25(2,3)22-11-10-18-12-19(13-20(18)14-22)21-15-23(26(4,5)6)17-24(16-21)27(7,8)9;;;;/h4*10-17H,1-9H3;2*1H;;/q4*-1;;;2*+2/p-2