bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-ethyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-ethyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-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=C2C3=CC=C(C=C3)C(C)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)CC)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)CC)CC.[Cl-].[Cl-].[Zr+4]

InChI

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