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

Systemtic Name: bis[7-(4-butan-2-ylphenyl)-2-butyl-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-butyl-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-butyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[7-(4-butan-2-ylphenyl)-2-butyl-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-butyl-7-(4-sec-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C62H79ClOSiZr MolecularWeight: 995.05256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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)CCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=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)CCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C48H58Si.C14H22O.ClH.Zr/c1-9-13-17-41-31-39-19-15-21-43(37-27-23-35(24-28-37)33(5)11-3)45(39)47(41)49(7,8)48-42(18-14-10-2)32-40-20-16-22-44(46(40)48)38-29-25-36(26-30-38)34(6)12-4;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h15-16,19-34H,9-14,17-18H2,1-8H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2