2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2-butyl-3-[3-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)propyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Formula: C41H42Cl2Zr MolecularWeight: 696.90218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C41H42.2ClH.Zr/c1-3-5-16-32-28-34-22-13-24-36(30-18-9-7-10-19-30)40(34)38(32)26-15-27-39-33(17-6-4-2)29-35-23-14-25-37(41(35)39)31-20-11-8-12-21-31;;;/h7-14,18-25,28-29H,3-6,15-17,26-27H2,1-2H3;2*1H;/q-2;;;+4/p-2