cyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; difluoride

Systemtic Name: cyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; difluoride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; difluoride CAS Name: cyclopenta-1,3-diene; (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; difluoride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; difluoride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; difluoride Formula: C62H48F2Zr2-2 MolecularWeight: 1013.489326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[F-].[F-]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[F-].[F-]

InChI

InChI=1S/2C13H9.2C13H10.2C5H5.2FH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-4-5-3-1;;;;/h2*1-9H;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2