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

Systemtic Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride Formula: C41H45ClOSiZr MolecularWeight: 708.5579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[CH-]1)[Si](C)(C3=CC=CC=C3)C4=C([CH-]C5=CC=CC=C54)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=CC=CC=C2[CH-]1)[Si](C)(C3=CC=CC=C3)C4=C([CH-]C5=CC=CC=C54)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C27H24Si.C14H22O.ClH.Zr/c1-19-17-21-11-7-9-15-24(21)26(19)28(3,23-13-5-4-6-14-23)27-20(2)18-22-12-8-10-16-25(22)27;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h4-18H,1-3H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2