2,7-diethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-propylcyclopenta-1,3-diene; dichloride

Systemtic Name: 2,7-diethyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-propylcyclopenta-1,3-diene; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2,7-diethyl-9H-fluoren-9-ide; 2-propylcyclopenta-1,3-diene; dichloride CAS Name: 2,7-diethyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); 2-propylcyclopenta-1,3-diene; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2,7-diethyl-9H-fluoren-9-ide; 2-propylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2,7-diethyl-9H-fluoren-9-ide; 2-propylcyclopenta-1,3-diene; dichloride Formula: C76H76Cl2Zr2-2 MolecularWeight: 1242.77064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.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

CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.CCC1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)CC.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/2C17H17.2C13H10.2C8H11.2ClH.2Zr/c2*1-3-12-5-7-16-14(9-12)11-15-10-13(4-2)6-8-17(15)16;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-5-8-6-3-4-7-8;;;;/h2*5-11H,3-4H2,1-2H3;2*1-10H;2*3,6H,2,4-5H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2