2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; pentan-3-ylidenezirconium(2+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; pentan-3-ylidenezirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-ethylpropylidenezirconium(2+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; pentan-3-ylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; pentan-3-ylidenezirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-ethylpropylidenezirconium(2+); dichloride Formula: C70H96Cl2Zr2-2 MolecularWeight: 1190.86524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=[Zr+2])CC.CCC(=[Zr+2])CC.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-]

Isomeric SMILES

CCC(=[Zr+2])CC.CCC(=[Zr+2])CC.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C9H13.2C5H10.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-9(2,3)8-6-4-5-7-8;2*1-3-5-4-2;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*6-7H,4H2,1-3H3;2*3-4H2,1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2