3-tert-butyl-1H-inden-1-ide; 1-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-tert-butyl-1H-inden-1-ide; 1-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-tert-butyl-1H-inden-1-ide; isopropylidenezirconium(2+); 1-methylcyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butyl-1H-inden-1-ide; 1-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-tert-butyl-1H-inden-1-ide; 1-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-tert-butyl-1H-inden-1-ide; isopropylidenezirconium(2+); 1-methylcyclopenta-1,3-diene; dichloride Formula: C22H28Cl2Zr-2 MolecularWeight: 454.58772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C1.CC(=[Zr+2])C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=[C-]C1.CC(=[Zr+2])C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/C13H15.C6H7.C3H6.2ClH.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-6-4-2-3-5-6;1-3-2;;;/h4-9H,1-3H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2