2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2-tert-butyl-3-[2-(2-tert-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Formula: C40H40Cl2Zr MolecularWeight: 682.8756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C40H40.2ClH.Zr/c1-39(2,3)35-25-29-19-13-21-31(27-15-9-7-10-16-27)37(29)33(35)23-24-34-36(40(4,5)6)26-30-20-14-22-32(38(30)34)28-17-11-8-12-18-28;;;/h7-22,25-26H,23-24H2,1-6H3;2*1H;/q-2;;;+4/p-2