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

Systemtic Name: bis[7-(4-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[7-(4-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[7-(4-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[7-(4-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[7-(4-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C60H75ClOSiZr MolecularWeight: 966.9994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCC)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCC)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C46H54Si.C14H22O.ClH.Zr/c1-7-11-17-33-23-27-35(28-24-33)41-21-13-19-37-31-39(15-9-3)45(43(37)41)47(5,6)46-40(16-10-4)32-38-20-14-22-42(44(38)46)36-29-25-34(26-30-36)18-12-8-2;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h13-14,19-32H,7-12,15-18H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2