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

Systemtic Name: bis[7-(4-butan-2-ylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride CAS Name: bis[7-(4-butan-2-ylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[7-(4-butan-2-ylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Formula: C56H67ClOSiZr MolecularWeight: 910.89308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H46Si.C14H22O.ClH.Zr/c1-9-27(3)31-17-21-33(22-18-31)37-15-11-13-35-25-29(5)41(39(35)37)43(7,8)42-30(6)26-36-14-12-16-38(40(36)42)34-23-19-32(20-24-34)28(4)10-2;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h11-28H,9-10H2,1-8H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2