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

Systemtic Name: 2-tert-butyl-3-methyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-tert-butyl-3-methyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2-tert-butyl-3-methylcyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butyl-3-methylcyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-tert-butyl-3-methyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride Formula: C26H30Cl2Zr-2 MolecularWeight: 504.6464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C(C)(C)C.CC(=[Zr+2])C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC[C-]=C1C(C)(C)C.CC(=[Zr+2])C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C10H15.C3H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-6-5-7-9(8)10(2,3)4;1-3-2;;;/h1-5,7-8H,9H2;6H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2