cyclopentylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride

Systemtic Name: cyclopentylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: cyclopentylidenezirconium(2+); 3-isopropyl-1H-inden-1-ide; dichloride CAS Name: cyclopentylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: cyclopentylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: cyclopentylidenezirconium(2+); 3-isopropyl-1H-inden-1-ide; dichloride Formula: C58H68Cl2Zr2-2 MolecularWeight: 1018.51452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.C1CCC(=[Zr+2])C1.C1CCC(=[Zr+2])C1.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.C1CCC(=[Zr+2])C1.C1CCC(=[Zr+2])C1.[Cl-].[Cl-]

InChI

InChI=1S/4C12H13.2C5H8.2ClH.2Zr/c4*1-9(2)11-8-7-10-5-3-4-6-12(10)11;2*1-2-4-5-3-1;;;;/h4*3-9H,1-2H3;2*1-4H2;2*1H;;/q4*-1;;;;;2*+2/p-2