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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[C-]1C=C2C=CC=C(C2=C1CCCC3=C4C(=C[C-]3CCCC)C=CC=C4C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC[C-]1C=C2C=CC=C(C2=C1CCCC3=C4C(=C[C-]3CCCC)C=CC=C4C5=CC=CC=C5)C6=CC=CC=C6.[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