bis(2-ethyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)-methyl-phenyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-ethyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)-methyl-phenyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-ethyl-3-(4-phenanthryl)-1H-inden-1-id-4-yl]-methyl-phenyl-silane; zirconium(4+); dichloride CAS Name: bis[2-ethyl-3-(4-phenanthrenyl)-1H-inden-1-id-4-yl]-methyl-phenylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-ethyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)-methyl-phenylsilane; zirconium(4+); dichloride Traditional Name: bis[2-ethyl-3-(4-phenanthryl)-1H-inden-1-id-4-yl]-methyl-phenyl-silane; zirconium(4+); dichloride Formula: C57H44Cl2SiZr MolecularWeight: 919.17476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)CC)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C([CH-]5)CC)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C57H44Si.2ClH.Zr/c1-4-37-35-43-21-15-29-50(56(43)54(37)48-27-13-19-41-33-31-39-17-9-11-25-46(39)52(41)48)58(3,45-23-7-6-8-24-45)51-30-16-22-44-36-38(5-2)55(57(44)51)49-28-14-20-42-34-32-40-18-10-12-26-47(40)53(42)49;;;/h6-36H,4-5H2,1-3H3;2*1H;/q-2;;;+4/p-2