bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+)

Systemtic Name: bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+) Openeye Name: bis[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) CAS Name: bis[1-butyl-2-ethyl-3-(1-naphthalenyl)-1H-inden-4-yl]-methyl-phenylsilane; zirconium(2+) IUPAC Name: bis(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)-methyl-phenylsilane; zirconium(2+) Traditional Name: bis[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) Formula: C57H56SiZr MolecularWeight: 860.36404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5CCC[CH2-])CC)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5CCC[CH2-])CC)C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98.[Zr+2]

InChI

InChI=1S/C57H56Si.Zr/c1-6-10-29-46-42(8-3)54(48-33-19-25-39-23-15-17-31-44(39)48)56-50(46)35-21-37-52(56)58(5,41-27-13-12-14-28-41)53-38-22-36-51-47(30-11-7-2)43(9-4)55(57(51)53)49-34-20-26-40-24-16-18-32-45(40)49;/h12-28,31-38,46-47H,1-2,6-11,29-30H2,3-5H3;/q-2;+2