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

Systemtic Name: bis[7-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[7-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[7-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[7-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[7-(3,5-ditert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C50H62Cl2SiZr MolecularWeight: 853.24278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=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)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C50H62Si.2ClH.Zr/c1-31-23-33-19-17-21-41(35-25-37(47(3,4)5)29-38(26-35)48(6,7)8)43(33)45(31)51(15,16)46-32(2)24-34-20-18-22-42(44(34)46)36-27-39(49(9,10)11)30-40(28-36)50(12,13)14;;;/h17-30H,1-16H3;2*1H;/q-2;;;+4/p-2