bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+)

Systemtic Name: bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) CAS Name: bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenylsilane; zirconium(2+) IUPAC Name: bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-methyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) Formula: C52H50SiZr MolecularWeight: 794.2629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2C1CCC[CH2-])C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=CC=CC(=C76)C8=CC=CC=C8)CCC[CH2-])C.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C=CC=C2C1CCC[CH2-])C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=CC=CC(=C76)C8=CC=CC=C8)CCC[CH2-])C.[Zr+2]

InChI

InChI=1S/C52H50Si.Zr/c1-5-7-31-43-37(3)51(49-45(33-21-35-47(43)49)39-23-13-9-14-24-39)53(41-27-17-11-18-28-41,42-29-19-12-20-30-42)52-38(4)44(32-8-6-2)48-36-22-34-46(50(48)52)40-25-15-10-16-26-40;/h9-30,33-36,43-44H,1-2,5-8,31-32H2,3-4H3;/q-2;+2