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

Systemtic Name: 2-cyclopenta-1,3-dien-1-yl-3-ethyl-cyclopenta-1,3-diene; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-3-ethyl-cyclopenta-1,3-diene; dichloride CAS Name: 2-(1-cyclopenta-1,3-dienyl)-3-ethylcyclopenta-1,3-diene; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-3-ethylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-3-ethyl-cyclopenta-1,3-diene; dichloride Formula: C25H23Cl2Zr-3 MolecularWeight: 485.58012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCC1=[C-]CC=C1C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10.C12H13.2ClH.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-10-8-5-9-12(10)11-6-3-4-7-11;;;/h1-10H;3-4,6,9H,2,5,7H2,1H3;2*1H;/q;-1;;;/p-2