cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; dichloride CAS Name: cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 1,2-diethylcyclopenta-1,3-diene; dichloride Formula: C27H28Cl2Zr-2 MolecularWeight: 514.64122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=[C-]C1)CC.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCC1=C(C=[C-]C1)CC.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10.C9H13.C5H5.2ClH.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-8-6-5-7-9(8)4-2;1-2-4-5-3-1;;;/h1-10H;6H,3-4,7H2,1-2H3;1-3H,4H2;2*1H;/q;2*-1;;;+2/p-2