1-cyclopenta-1,4-dien-1-ylethylbenzene; zirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylethylbenzene; zirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-ylethylbenzene; zirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)ethylbenzene; zirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-ylethylbenzene; zirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-ylethylbenzene; zirconium(2+); dichloride Formula: C26H26Cl2Zr-2 MolecularWeight: 500.61464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H13.2ClH.Zr/c2*1-11(13-9-5-6-10-13)12-7-3-2-4-8-12;;;/h2*2-5,7-9,11H,6H2,1H3;2*1H;/q2*-1;;;+2/p-2