2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-6-(2-methylpropyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-6-(2-methylpropyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Openeye Name: bis(6-isobutyl-2-methyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-6-(2-methylpropyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-6-(2-methylpropyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Traditional Name: bis(6-isobutyl-2-methyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C44H59ClOSiZr MolecularWeight: 758.70116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC(=C2)CC(C)C)[Si](C)(C)C3=C([CH-]C4=C3C=C(C=C4)CC(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC(=C2)CC(C)C)[Si](C)(C)C3=C([CH-]C4=C3C=C(C=C4)CC(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C30H38Si.C14H22O.ClH.Zr/c1-19(2)13-23-9-11-25-15-21(5)29(27(25)17-23)31(7,8)30-22(6)16-26-12-10-24(14-20(3)4)18-28(26)30;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h9-12,15-20H,13-14H2,1-8H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2