bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+)

Systemtic Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+) CAS Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane; zirconium(2+) IUPAC Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-ethyl-3H-benz[e]inden-1-yl)-diphenyl-silane; zirconium(2+) Formula: C50H50SiZr MolecularWeight: 770.2415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=C6C8=CC=CC=C8C=C7)CCC[CH2-])CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=C6C8=CC=CC=C8C=C7)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C50H50Si.Zr/c1-5-9-27-43-39(7-3)49(47-41-29-19-17-21-35(41)31-33-45(43)47)51(37-23-13-11-14-24-37,38-25-15-12-16-26-38)50-40(8-4)44(28-10-6-2)46-34-32-36-22-18-20-30-42(36)48(46)50;/h11-26,29-34,43-44H,1-2,5-10,27-28H2,3-4H3;/q-2;+2