bis(2-butyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-butyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-butyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-butyl-5,7-bis(2-pyridinyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-butyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-butyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C48H46Cl2N4SiZr MolecularWeight: 869.12114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2[CH-]1)C3=CC=CC=N3)C4=CC=CC=N4)[Si](C)(C)C5=C([CH-]C6=CC(=CC(=C65)C7=CC=CC=N7)C8=CC=CC=N8)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2[CH-]1)C3=CC=CC=N3)C4=CC=CC=N4)[Si](C)(C)C5=C([CH-]C6=CC(=CC(=C65)C7=CC=CC=N7)C8=CC=CC=N8)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C48H46N4Si.2ClH.Zr/c1-5-7-17-33-27-37-29-35(41-19-9-13-23-49-41)31-39(43-21-11-15-25-51-43)45(37)47(33)53(3,4)48-34(18-8-6-2)28-38-30-36(42-20-10-14-24-50-42)32-40(46(38)48)44-22-12-16-26-52-44;;;/h9-16,19-32H,5-8,17-18H2,1-4H3;2*1H;/q-2;;;+4/p-2