cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride Formula: C48H48Cl2Zr2-2 MolecularWeight: 878.24872

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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-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C6H10.2C5H5.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;/h2*1-9H;2*1-5H2;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2