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

Systemtic Name: bis[2-butyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-7-(p-tolyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-butyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-7-(p-tolyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C42H46Cl2SiZr MolecularWeight: 741.03014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C42H46Si.2ClH.Zr/c1-7-9-13-35-27-33-15-11-17-37(31-23-19-29(3)20-24-31)39(33)41(35)43(5,6)42-36(14-10-8-2)28-34-16-12-18-38(40(34)42)32-25-21-30(4)22-26-32;;;/h11-12,15-28H,7-10,13-14H2,1-6H3;2*1H;/q-2;;;+4/p-2