2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride

Systemtic Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride Openeye Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride CAS Name: 2-tert-butyl-5-methylcyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: 2-tert-butyl-5-methylcyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride Formula: C74H100Cl2Zr2-2 MolecularWeight: 1242.9398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=[C-]1)C(C)(C)C.CC1C=C(C=[C-]1)C(C)(C)C.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.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C(C=[C-]1)C(C)(C)C.CC1C=C(C=[C-]1)C(C)(C)C.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.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C10H15.2C6H10.2ClH.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*1-8-5-6-9(7-8)10(2,3)4;2*1-2-4-6-5-3-1;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*6-8H,1-4H3;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2