2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-ethylcyclopenta-1,3-diene; dichloride

Systemtic Name: 2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-ethylcyclopenta-1,3-diene; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2,7-dimethyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; dichloride CAS Name: 2,7-dimethyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); 2-ethylcyclopenta-1,3-diene; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2,7-dimethyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2,7-dimethyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; dichloride Formula: C70H64Cl2Zr2-2 MolecularWeight: 1158.61116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.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.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=[C-]CC=C1.CCC1=[C-]CC=C1.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.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/2C15H13.2C13H10.2C7H9.2ClH.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*1-2-7-5-3-4-6-7;;;;/h2*3-9H,1-2H3;2*1-10H;2*3,5H,2,4H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2