cyclopenta-1,4-dien-1-ylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; dichloride CAS Name: 1-cyclopenta-1,4-dienylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-dimethyl-9H-fluoren-9-ide; dichloride Formula: C78H64Cl2Zr2-2 MolecularWeight: 1254.69676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C.CC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C.C1C=C(C=[C-]1)C2=CC=CC=C2.C1C=C(C=[C-]1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C.CC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C.C1C=C(C=[C-]1)C2=CC=CC=C2.C1C=C(C=[C-]1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C15H13.2C13H10.2C11H9.2ClH.2Zr/c2*1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-6-10(7-3-1)11-8-4-5-9-11;;;;/h2*3-9H,1-2H3;2*1-10H;2*1-3,6-9H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2