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

Systemtic Name: bis[7-(4-tert-butylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[7-(4-tert-butylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[7-(4-tert-butylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[7-(4-tert-butylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[7-(4-tert-butylphenyl)-2-hexyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C52H66Cl2SiZr MolecularWeight: 881.29594

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

InChI

InChI=1S/C52H66Si.2ClH.Zr/c1-11-13-15-17-21-41-35-39-23-19-25-45(37-27-31-43(32-28-37)51(3,4)5)47(39)49(41)53(9,10)50-42(22-18-16-14-12-2)36-40-24-20-26-46(48(40)50)38-29-33-44(34-30-38)52(6,7)8;;;/h19-20,23-36H,11-18,21-22H2,1-10H3;2*1H;/q-2;;;+4/p-2