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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=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)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

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