bis[2-(5-tert-butylfuran-2-yl)-2-phenanthren-4-yl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[2-(5-tert-butylfuran-2-yl)-2-phenanthren-4-yl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-(5-tert-butyl-2-furyl)-2-(4-phenanthryl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-(5-tert-butyl-2-furanyl)-2-(4-phenanthrenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-(5-tert-butylfuran-2-yl)-2-phenanthren-4-yl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-(5-tert-butyl-2-furyl)-2-(4-phenanthryl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C64H54Cl2O2SiZr MolecularWeight: 1045.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(O1)C2([C-]=C3C=CC=CC3=C2[Si](C)(C)C4=C5C=CC=CC5=[C-]C4(C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=C(O9)C(C)(C)C)C1=CC=CC2=C1C1=CC=CC=C1C=C2.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=CC=C(O1)C2([C-]=C3C=CC=CC3=C2[Si](C)(C)C4=C5C=CC=CC5=[C-]C4(C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=C(O9)C(C)(C)C)C1=CC=CC2=C1C1=CC=CC=C1C=C2.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C64H54O2Si.2ClH.Zr/c1-61(2,3)53-35-37-55(65-53)63(51-29-17-23-43-33-31-41-19-9-13-25-47(41)57(43)51)39-45-21-11-15-27-49(45)59(63)67(7,8)60-50-28-16-12-22-46(50)40-64(60,56-38-36-54(66-56)62(4,5)6)52-30-18-24-44-34-32-42-20-10-14-26-48(42)58(44)52;;;/h9-38H,1-8H3;2*1H;/q-2;;;+4/p-2