cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Formula: C64H56Cl2Zr2-2 MolecularWeight: 1078.48344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/4C13H9.2C6H10.2ClH.2Zr/c4*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-4-6-5-3-1;;;;/h4*1-9H;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2