bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[7-(4-cyclohexylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C48H54Cl2SiZr MolecularWeight: 821.15786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C48H54Si.2ClH.Zr/c1-5-33-31-41-19-13-21-43(39-27-23-37(24-28-39)35-15-9-7-10-16-35)45(41)47(33)49(3,4)48-34(6-2)32-42-20-14-22-44(46(42)48)40-29-25-38(26-30-40)36-17-11-8-12-18-36;;;/h13-14,19-32,35-36H,5-12,15-18H2,1-4H3;2*1H;/q-2;;;+4/p-2