cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; dichloride Formula: C82H88Cl2Zr2-2 MolecularWeight: 1326.93012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C23H29.2C13H10.2C5H5.2ClH.2Zr/c2*1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-4-5-3-1;;;;/h2*9,12-13H,11H2,1-8H3;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2