1-cyclopenta-1,3-dien-1-yl-2,3-diethyl-cyclopenta-1,3-diene; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-2,3-diethyl-cyclopenta-1,3-diene; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-yl-2,3-diethyl-cyclopenta-1,3-diene; dichloride CAS Name: 1-(1-cyclopenta-1,3-dienyl)-2,3-diethylcyclopenta-1,3-diene; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-yl-2,3-diethylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-yl-2,3-diethyl-cyclopenta-1,3-diene; dichloride Formula: C27H27Cl2Zr-3 MolecularWeight: 513.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC(=C1CC)C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCC1=[C-]CC(=C1CC)C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C14H17.C13H10.2ClH.Zr/c1-3-11-9-10-14(13(11)4-2)12-7-5-6-8-12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h5-7H,3-4,8,10H2,1-2H3;1-10H;2*1H;/q-1;;;;/p-2