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

Systemtic Name: 5-cyclopenta-1,3-dien-1-yl-1,2,3-trimethyl-cyclopenta-1,3-diene; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 5-cyclopenta-1,3-dien-1-yl-1,2,3-trimethyl-cyclopenta-1,3-diene; dichloride CAS Name: 5-(1-cyclopenta-1,3-dienyl)-1,2,3-trimethylcyclopenta-1,3-diene; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 5-cyclopenta-1,3-dien-1-yl-1,2,3-trimethylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium; 5-cyclopenta-1,3-dien-1-yl-1,2,3-trimethyl-cyclopenta-1,3-diene; dichloride Formula: C26H25Cl2Zr-3 MolecularWeight: 499.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)C2=CC=CC2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H15.C13H10.2ClH.Zr/c1-9-8-13(11(3)10(9)2)12-6-4-5-7-12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h4-6,13H,7H2,1-3H3;1-10H;2*1H;/q-1;;;;/p-2