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

Systemtic Name: 5-tert-butyl-2-(3,5-dimethylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-(3,5-dimethylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5-tert-butyl-2-(3,5-dimethylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5-tert-butyl-2-(3,5-dimethylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-(3,5-dimethylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C27H27Cl2Zr- MolecularWeight: 513.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(C=C3C=C(C=CC3=[C-]2)C(C)(C)C)C4=CC=CC=C4)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC(=CC(=C1)C2(C=C3C=C(C=CC3=[C-]2)C(C)(C)C)C4=CC=CC=C4)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C27H27.2ClH.Zr/c1-19-13-20(2)15-25(14-19)27(23-9-7-6-8-10-23)17-21-11-12-24(26(3,4)5)16-22(21)18-27;;;/h6-16,18H,1-5H3;2*1H;/q-1;;;+2/p-2