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

Systemtic Name: bis[2-butyl-7-(4-tert-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-7-(4-tert-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-7-(4-tert-butylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-butyl-7-(4-tert-butylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-7-(4-tert-butylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C48H58Cl2SiZr MolecularWeight: 825.18962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=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)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C48H58Si.2ClH.Zr/c1-11-13-17-37-31-35-19-15-21-41(33-23-27-39(28-24-33)47(3,4)5)43(35)45(37)49(9,10)46-38(18-14-12-2)32-36-20-16-22-42(44(36)46)34-25-29-40(30-26-34)48(6,7)8;;;/h15-16,19-32H,11-14,17-18H2,1-10H3;2*1H;/q-2;;;+4/p-2