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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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