bis(2-butyl-5-quinolin-8-yl-inden-2-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-butyl-5-quinolin-8-yl-inden-2-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-5-(8-quinolyl)inden-2-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-5-(8-quinolinyl)-1-inden-2-idyl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-butyl-5-quinolin-8-ylinden-2-id-1-yl)-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-5-(8-quinolyl)inden-2-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C46H44Cl2N2SiZr MolecularWeight: 815.07046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[C-]1C=C2C=C(C=CC2=C1[Si](C)(C)C3=C4C=CC(=CC4=C[C-]3CCCC)C5=CC=CC6=C5N=CC=C6)C7=CC=CC8=C7N=CC=C8.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC[C-]1C=C2C=C(C=CC2=C1[Si](C)(C)C3=C4C=CC(=CC4=C[C-]3CCCC)C5=CC=CC6=C5N=CC=C6)C7=CC=CC8=C7N=CC=C8.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H44N2Si.2ClH.Zr/c1-5-7-13-35-29-37-27-33(39-19-9-15-31-17-11-25-47-43(31)39)21-23-41(37)45(35)49(3,4)46-36(14-8-6-2)30-38-28-34(22-24-42(38)46)40-20-10-16-32-18-12-26-48-44(32)40;;;/h9-12,15-30H,5-8,13-14H2,1-4H3;2*1H;/q-2;;;+4/p-2