2-(4-methylpentyl)cyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: 2-(4-methylpentyl)cyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 2-isohexylcyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 2-(4-methylpentyl)cyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 2-(4-methylpentyl)cyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 2-isohexylcyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C22H34Cl2Zr MolecularWeight: 460.63536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=[C-]CC=C1.CC(C)CCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)CCCC1=[C-]CC=C1.CC(C)CCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C11H17.2ClH.Zr/c2*1-10(2)6-5-9-11-7-3-4-8-11;;;/h2*3,7,10H,4-6,9H2,1-2H3;2*1H;/q2*-1;;;+4/p-2