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

Systemtic Name: bis[2-hexyl-7-(4-propan-2-ylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-hexyl-7-(4-isopropylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-hexyl-7-(4-propan-2-ylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-hexyl-7-(4-propan-2-ylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis(2-hexyl-7-p-cumenyl-3H-inden-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Formula: C50H62Cl2SiZr MolecularWeight: 853.24278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)C)CCCCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)C)CCCCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C50H62Si.2ClH.Zr/c1-9-11-13-15-19-43-33-41-21-17-23-45(39-29-25-37(26-30-39)35(3)4)47(41)49(43)51(7,8)50-44(20-16-14-12-10-2)34-42-22-18-24-46(48(42)50)40-31-27-38(28-32-40)36(5)6;;;/h17-18,21-36H,9-16,19-20H2,1-8H3;2*1H;/q-2;;;+4/p-2