cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride Formula: C21H20Cl2Zr-2 MolecularWeight: 434.5135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C5H5.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2