2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride

Systemtic Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride Openeye Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride CAS Name: 2-tert-butyl-5-methylcyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: 2-tert-butyl-5-methylcyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride Traditional Name: 2-tert-butyl-5-methyl-cyclopenta-1,3-diene; cyclohexylidenezirconium(2+); 1,9-dihydrofluoren-1-ide; dichloride Formula: C58H68Cl2Zr2-2 MolecularWeight: 1018.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=[C-]1)C(C)(C)C.CC1C=C(C=[C-]1)C(C)(C)C.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C(C=[C-]1)C(C)(C)C.CC1C=C(C=[C-]1)C(C)(C)C.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C10H15.2C6H10.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-8-5-6-9(7-8)10(2,3)4;2*1-2-4-6-5-3-1;;;;/h2*1-5,7-8H,9H2;2*6-8H,1-4H3;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2