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

Systemtic Name: cyclopenta-1,3-diene; ethylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Openeye Name: cyclopenta-1,3-diene; ethylidenezirconium(2+); 9H-fluoren-9-ide; dichloride CAS Name: cyclopenta-1,3-diene; ethylidenezirconium(2+); 9H-fluoren-9-ide; dichloride IUPAC Name: cyclopenta-1,3-diene; ethylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Traditional Name: cyclopenta-1,3-diene; ethylidenezirconium(2+); 9H-fluoren-9-ide; dichloride Formula: C40H36Cl2Zr2-2 MolecularWeight: 770.06784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=[Zr+2].CC=[Zr+2].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

CC=[Zr+2].CC=[Zr+2].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/2C13H9.2C5H5.2C2H4.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-4-5-3-1;2*1-2;;;;/h2*1-9H;2*1-3H,4H2;2*1H,2H3;2*1H;;/q4*-1;;;;;2*+2/p-2