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

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-phenyl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Formula: C48H51ClOSiZr MolecularWeight: 798.68044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)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)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C34H30Si.C14H22O.ClH.Zr/c1-23-21-27-17-11-19-29(25-13-7-5-8-14-25)31(27)33(23)35(3,4)34-24(2)22-28-18-12-20-30(32(28)34)26-15-9-6-10-16-26;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h5-22H,1-4H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2