bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,6-dimethylphenolate; zirconium(4+); chloride

Systemtic Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,6-dimethylphenolate; zirconium(4+); chloride Openeye Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,6-dimethylphenolate; zirconium(4+); chloride CAS Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethylsilane; 2,6-dimethylphenolate; zirconium(4+); chloride IUPAC Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethylsilane; 2,6-dimethylphenolate; zirconium(4+); chloride Traditional Name: bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-dimethyl-silane; 2,6-dimethylphenolate; zirconium(4+); chloride Formula: C44H43ClOSiZr MolecularWeight: 742.57412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)CC.CC1=C(C(=CC=C1)C)[O-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=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)CC.CC1=C(C(=CC=C1)C)[O-].[Cl-].[Zr+4]

InChI

InChI=1S/C36H34Si.C8H10O.ClH.Zr/c1-5-25-23-29-19-13-21-31(27-15-9-7-10-16-27)33(29)35(25)37(3,4)36-26(6-2)24-30-20-14-22-32(34(30)36)28-17-11-8-12-18-28;1-6-4-3-5-7(2)8(6)9;;/h7-24H,5-6H2,1-4H3;3-5,9H,1-2H3;1H;/q-2;;;+4/p-2