cyclohexylidenezirconium; 2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium; 2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Openeye Name: cyclohexylidenezirconium; 2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclohexylidenezirconium; 2-(2,3-diethyl-1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium; 2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: cyclohexylidenezirconium; 2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Formula: C56H62Cl2Zr2-4 MolecularWeight: 988.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(=C1CC)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CCC1=CCC(=C1CC)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CCC(=C1CC)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CCC1=CCC(=C1CC)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

InChI

InChI=1S/2C22H21.2C6H10.2ClH.2Zr/c2*1-3-15-9-11-21(19(15)4-2)17-10-12-22-18(14-17)13-16-7-5-6-8-20(16)22;2*1-2-4-6-5-3-1;;;;/h2*5-10,12H,3-4,11,13H2,1-2H3;2*1-5H2;2*1H;;/q2*-1;;;;;;/p-2