bis[2-(1-benzofuran-2-yl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[2-(1-benzofuran-2-yl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-(benzofuran-2-yl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-(2-benzofuranyl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-(1-benzofuran-2-yl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-(benzofuran-2-yl)-8-phenyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C50H38Cl2O2SiZr MolecularWeight: 861.05102

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C1=C([CH-]C2=C1C(C=CC=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4)C6=C([CH-]C7=C6C(C=CC=C7)C8=CC=CC=C8)C9=CC1=CC=CC=C1O9.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C[Si](C)(C1=C([CH-]C2=C1C(C=CC=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4)C6=C([CH-]C7=C6C(C=CC=C7)C8=CC=CC=C8)C9=CC1=CC=CC=C1O9.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C50H38O2Si.2ClH.Zr/c1-53(2,49-41(45-31-35-21-11-15-27-43(35)51-45)29-37-23-9-13-25-39(47(37)49)33-17-5-3-6-18-33)50-42(46-32-36-22-12-16-28-44(36)52-46)30-38-24-10-14-26-40(48(38)50)34-19-7-4-8-20-34;;;/h3-32,39-40H,1-2H3;2*1H;/q-2;;;+4/p-2