bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[7-(3,5-ditert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C52H66Cl2SiZr MolecularWeight: 881.29594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H66Si.2ClH.Zr/c1-17-33-25-35-21-19-23-43(37-27-39(49(3,4)5)31-40(28-37)50(6,7)8)45(35)47(33)53(15,16)48-34(18-2)26-36-22-20-24-44(46(36)48)38-29-41(51(9,10)11)32-42(30-38)52(12,13)14;;;/h19-32H,17-18H2,1-16H3;2*1H;/q-2;;;+4/p-2