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

Systemtic Name: bis[2-hexyl-7-(4-propylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-hexyl-7-(4-propylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[2-hexyl-7-(4-propylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[2-hexyl-7-(4-propylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-hexyl-7-(4-propylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C64H83ClOSiZr MolecularWeight: 1023.10572

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C50H62Si.C14H22O.ClH.Zr/c1-7-11-13-15-21-43-35-41-23-17-25-45(39-31-27-37(19-9-3)28-32-39)47(41)49(43)51(5,6)50-44(22-16-14-12-8-2)36-42-24-18-26-46(48(42)50)40-33-29-38(20-10-4)30-34-40;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h17-18,23-36H,7-16,19-22H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2