4-[2-butyl-7-[2-(2-butyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride

Systemtic Name: 4-[2-butyl-7-[2-(2-butyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride Openeye Name: 4-[2-butyl-7-[2-[2-butyl-3-(4-phenanthryl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride CAS Name: 4-[2-butyl-7-[2-[2-butyl-3-(4-phenanthrenyl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride IUPAC Name: 4-[2-butyl-7-[2-(2-butyl-3-phenanthren-4-yl-1H-inden-1-id-4-yl)ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride Traditional Name: 4-[2-butyl-7-[2-[2-butyl-3-(4-phenanthryl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]phenanthrene; zirconium(4+); dichloride Formula: C56H48Cl2Zr MolecularWeight: 883.11032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2CCC3=CC=CC4=C3C(=C([CH-]4)CCCC)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2CCC3=CC=CC4=C3C(=C([CH-]4)CCCC)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C56H48.2ClH.Zr/c1-3-5-15-45-35-43-23-11-19-39(51(43)55(45)49-27-13-21-41-31-29-37-17-7-9-25-47(37)53(41)49)33-34-40-20-12-24-44-36-46(16-6-4-2)56(52(40)44)50-28-14-22-42-32-30-38-18-8-10-26-48(38)54(42)50;;;/h7-14,17-32,35-36H,3-6,15-16,33-34H2,1-2H3;2*1H;/q-2;;;+4/p-2