2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride Openeye Name: bis(7-isopropyl-2-methyl-3H-inden-3-id-1-yl)-methyl-phenyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-propan-2-yl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride Traditional Name: bis(7-isopropyl-2-methyl-3H-inden-3-id-1-yl)-methyl-phenyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C47H57ClOSiZr MolecularWeight: 792.71738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C(C)C)[Si](C)(C3=CC=CC=C3)C4=C([CH-]C5=C4C(=CC=C5)C(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=C2C(C)C)[Si](C)(C3=CC=CC=C3)C4=C([CH-]C5=C4C(=CC=C5)C(C)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C33H36Si.C14H22O.ClH.Zr/c1-21(2)28-17-11-13-25-19-23(5)32(30(25)28)34(7,27-15-9-8-10-16-27)33-24(6)20-26-14-12-18-29(22(3)4)31(26)33;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h8-22H,1-7H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2