5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(4+); dichloride Formula: C54H70Cl2Zr MolecularWeight: 881.2636

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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.[Cl-].[Cl-].[Zr+4]

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.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H35.2ClH.Zr/c2*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;;;/h2*10-17H,1-9H3;2*1H;/q2*-1;;;+4/p-2