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

Systemtic Name: bis(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) CAS Name: bis(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-diphenylsilane; zirconium(2+) IUPAC Name: bis(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) Formula: C54H54SiZr MolecularWeight: 822.31606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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-])CC.[Zr+2]

Isomeric SMILES

CCC1=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-])CC.[Zr+2]

InChI

InChI=1S/C54H54Si.Zr/c1-5-9-33-47-43(7-3)53(51-45(35-23-37-49(47)51)39-25-15-11-16-26-39)55(41-29-19-13-20-30-41,42-31-21-14-22-32-42)54-44(8-4)48(34-10-6-2)50-38-24-36-46(52(50)54)40-27-17-12-18-28-40;/h11-32,35-38,47-48H,1-2,5-10,33-34H2,3-4H3;/q-2;+2