cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1H-inden-1-ide; dichloride Formula: C40H44Cl2Zr2-2 MolecularWeight: 778.13136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C9H7.2C6H10.2C5H5.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;/h2*1-7H;2*1-5H2;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2