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

Systemtic Name: bis[2-hexyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-hexyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[2-hexyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[2-hexyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-hexyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C70H95ClOSiZr MolecularWeight: 1107.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)CCCCCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCCC)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)CCCCCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCCC)CCCCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C56H74Si.C14H22O.ClH.Zr/c1-7-11-15-19-25-43-33-37-45(38-34-43)51-31-23-29-47-41-49(27-21-17-13-9-3)55(53(47)51)57(5,6)56-50(28-22-18-14-10-4)42-48-30-24-32-52(54(48)56)46-39-35-44(36-40-46)26-20-16-12-8-2;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h23-24,29-42H,7-22,25-28H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2