cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; diphenylsilylidenezirconium(2+); dichloride Formula: C76H80Cl2Si2Zr2-2 MolecularWeight: 1302.9734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C12H10Si.2C5H5.2ClH.2Zr/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;;/h2*7-10,12H,11H2,1-6H3;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2