cyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride

Systemtic Name: cyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclopenta-1,3-diene; (diphenylmethylene)zirconium(2+); 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride Formula: C64H52Cl2O2Zr2-2 MolecularWeight: 1106.45048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.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

COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.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/2C14H11O.2C13H10.2C5H5.2ClH.2Zr/c2*1-15-13-8-4-6-11-9-10-5-2-3-7-12(10)14(11)13;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-4-5-3-1;;;;/h2*2-5,7-8H,9H2,1H3;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2