cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dinaphthalen-1-ylmethylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dinaphthalen-1-ylmethylidenezirconium(2+); dichloride Openeye Name: bis(1-naphthyl)methylenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride CAS Name: bis(1-naphthalenyl)methylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dinaphthalen-1-ylmethylidenezirconium(2+); dichloride Traditional Name: bis(1-naphthyl)methylenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dichloride Formula: C94H88Cl2Zr2-2 MolecularWeight: 1471.05852

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Descriptors Computed from Structure

Canonical SMILES:

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.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C(=C1)C=CC=C2C(=[Zr+2])C3=CC=CC4=CC=CC=C43.C1=CC=C2C(=C1)C=CC=C2C(=[Zr+2])C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

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.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C(=C1)C=CC=C2C(=[Zr+2])C3=CC=CC4=CC=CC=C43.C1=CC=C2C(=C1)C=CC=C2C(=[Zr+2])C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/2C21H14.2C21H25.2C5H5.2ClH.2Zr/c2*1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19;2*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*1-2-4-5-3-1;;;;/h2*1-14H;2*7,9-10,12-13H,11H2,1-6H3;2*1-3H,4H2;2*1H;;/q;;4*-1;;;2*+2/p-2