9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 9-(2-butyl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride Formula: C112H104Cl2Si2Zr2-2 MolecularWeight: 1759.54916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C27H23.2C2H6Si.2ClH.2Zr/c4*1-2-3-9-19-16-20-11-8-15-25(26(20)17-19)27-18-21-10-4-5-12-22(21)23-13-6-7-14-24(23)27;2*1-3-2;;;;/h4*4-8,10-18H,2-3,9H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2