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

Systemtic Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-ethyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[7-(4-butan-2-ylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-ethyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C58H71ClOSiZr MolecularWeight: 938.94624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)CC)CC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)CC)CC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C44H50Si.C14H22O.ClH.Zr/c1-9-29(5)33-19-23-35(24-20-33)39-17-13-15-37-27-31(11-3)43(41(37)39)45(7,8)44-32(12-4)28-38-16-14-18-40(42(38)44)36-25-21-34(22-26-36)30(6)10-2;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h13-30H,9-12H2,1-8H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2