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

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; 2,7-diethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-diethyl-9H-fluoren-9-ide; dichloride CAS Name: 1-cyclopenta-1,4-dienylbenzene; 2,7-diethyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-diethyl-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 2,7-diethyl-9H-fluoren-9-ide; dichloride Formula: C82H72Cl2Zr2-2 MolecularWeight: 1310.80308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[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

CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[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/2C17H17.2C13H10.2C11H9.2ClH.2Zr/c2*1-3-12-5-7-16-14(9-12)11-15-10-13(4-2)6-8-17(15)16;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*5-11H,3-4H2,1-2H3;2*1-10H;2*1-4,6-8H,5H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2