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

Systemtic Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; methyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); chloride Formula: C53H53ClOSiZr MolecularWeight: 860.74982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)[Si](C)(C4=CC=CC=C4)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC=C7)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=C2C3=CC=CC=C3)[Si](C)(C4=CC=CC=C4)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC=C7)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C39H32Si.C14H22O.ClH.Zr/c1-27-25-31-19-13-23-34(29-15-7-4-8-16-29)36(31)38(27)40(3,33-21-11-6-12-22-33)39-28(2)26-32-20-14-24-35(37(32)39)30-17-9-5-10-18-30;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h4-26H,1-3H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2