bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride

Systemtic Name: bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[7-(4-cyclohexylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C70H91ClOSiZr MolecularWeight: 1103.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)CCCCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)CCCCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C56H70Si.C14H22O.ClH.Zr/c1-5-7-9-13-25-49-39-47-27-19-29-51(45-35-31-43(32-36-45)41-21-15-11-16-22-41)53(47)55(49)57(3,4)56-50(26-14-10-8-6-2)40-48-28-20-30-52(54(48)56)46-37-33-44(34-38-46)42-23-17-12-18-24-42;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h19-20,27-42H,5-18,21-26H2,1-4H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2