bis(2-butyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-butyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-7-(8-quinolyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-7-(8-quinolinyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-butyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-7-(8-quinolyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C46H44Cl2N2SiZr MolecularWeight: 815.07046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=C7N=CC=C8)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=C7N=CC=C8)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

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