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

Systemtic Name: bis[2-butyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-butyl-7-(4-hexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-7-(4-hexylphenyl)-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=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CCCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCCC)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CCCC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCCC)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

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