5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 5-tert-butyl-2-[(5-tert-butyl-1H-inden-1-id-2-yl)methyl]-1H-inden-1-ide; zirconium(4+); dichloride Formula: C27H30Cl2Zr MolecularWeight: 516.6571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C([CH-]C(=C2)CC3=CC4=C([CH-]3)C=CC(=C4)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=CC2=C([CH-]C(=C2)CC3=CC4=C([CH-]3)C=CC(=C4)C(C)(C)C)C=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C27H30.2ClH.Zr/c1-26(2,3)24-9-7-20-12-18(14-22(20)16-24)11-19-13-21-8-10-25(27(4,5)6)17-23(21)15-19;;;/h7-10,12-17H,11H2,1-6H3;2*1H;/q-2;;;+4/p-2