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

Systemtic Name: bis[3-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-id-4-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[3-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-id-4-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[3-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-id-4-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[3-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-id-4-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[3-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-id-4-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C44H50Cl2SiZr MolecularWeight: 769.0833

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C([CH-]4)CC)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C([CH-]4)CC)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C44H50Si.2ClH.Zr/c1-11-29-27-33-15-13-17-37(41(33)39(29)31-19-23-35(24-20-31)43(3,4)5)45(9,10)38-18-14-16-34-28-30(12-2)40(42(34)38)32-21-25-36(26-22-32)44(6,7)8;;;/h13-28H,11-12H2,1-10H3;2*1H;/q-2;;;+4/p-2