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

Systemtic Name: cyclohexylidenezirconium; 2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Openeye Name: cyclohexylidenezirconium; 2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclohexylidenezirconium; 2-(2,3-dimethyl-1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium; 2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: cyclohexylidenezirconium; 2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; dichloride Formula: C52H54Cl2Zr2-4 MolecularWeight: 932.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1C)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC1=CCC(=C1C)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

Isomeric SMILES

CC1=CCC(=C1C)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC1=CCC(=C1C)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

InChI

InChI=1S/2C20H17.2C6H10.2ClH.2Zr/c2*1-13-7-9-18(14(13)2)16-8-10-20-17(12-16)11-15-5-3-4-6-19(15)20;2*1-2-4-6-5-3-1;;;;/h2*3-8,10H,9,11H2,1-2H3;2*1-5H2;2*1H;;/q2*-1;;;;;;/p-2