butane; 2,7-dinaphthalen-1-yl-9H-fluoren-9-ide; zirconium(3+)

Systemtic Name: butane; 2,7-dinaphthalen-1-yl-9H-fluoren-9-ide; zirconium(3+) Openeye Name: 2,7-bis(1-naphthyl)-9H-fluoren-9-ide; butane; zirconium(3+) CAS Name: 2,7-bis(1-naphthalenyl)-9H-fluoren-9-ide; butane; zirconium(3+) IUPAC Name: butane; 2,7-dinaphthalen-1-yl-9H-fluoren-9-ide; zirconium(3+) Traditional Name: 2,7-bis(1-naphthyl)-9H-fluoren-9-ide; butane; zirconium(3+) Formula: C41H39Zr MolecularWeight: 622.97236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].[CH-]1C2=C(C=CC(=C2)C3=CC=CC4=CC=CC=C43)C5=C1C=C(C=C5)C6=CC=CC7=CC=CC=C76.[Zr+3]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].[CH-]1C2=C(C=CC(=C2)C3=CC=CC4=CC=CC=C43)C5=C1C=C(C=C5)C6=CC=CC7=CC=CC=C76.[Zr+3]

InChI

InChI=1S/C33H21.2C4H9.Zr/c1-3-11-28-22(7-1)9-5-13-30(28)24-15-17-32-26(19-24)21-27-20-25(16-18-33(27)32)31-14-6-10-23-8-2-4-12-29(23)31;2*1-3-4-2;/h1-21H;2*1,3-4H2,2H3;/q3*-1;+3