bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-methyl-phenyl-silane; zirconium(2+)

Systemtic Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-methyl-phenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-ethyl-5,7-diisopropyl-3H-inden-1-yl)-methyl-phenyl-silane; zirconium(2+) CAS Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-methyl-phenylsilane; zirconium(2+) IUPAC Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-methyl-phenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-ethyl-5,7-diisopropyl-3H-inden-1-yl)-methyl-phenyl-silane; zirconium(2+) Formula: C49H68SiZr MolecularWeight: 776.37372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2C1CCC[CH2-])C(C)C)C(C)C)[Si](C)(C3=CC=CC=C3)C4=C(C(C5=CC(=CC(=C54)C(C)C)C(C)C)CCC[CH2-])CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2C1CCC[CH2-])C(C)C)C(C)C)[Si](C)(C3=CC=CC=C3)C4=C(C(C5=CC(=CC(=C54)C(C)C)C(C)C)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C49H68Si.Zr/c1-14-18-25-40-38(16-3)48(46-42(33(9)10)27-35(31(5)6)29-44(40)46)50(13,37-23-21-20-22-24-37)49-39(17-4)41(26-19-15-2)45-30-36(32(7)8)28-43(34(11)12)47(45)49;/h20-24,27-34,40-41H,1-2,14-19,25-26H2,3-13H3;/q-2;+2