cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-cyclopropyl-1H-inden-1-ide; dichloride Formula: C60H64Cl2Zr2-2 MolecularWeight: 1038.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.C1CC1C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C12H11.2C6H10.2ClH.2Zr/c4*1-2-4-11-9(3-1)7-8-12(11)10-5-6-10;2*1-2-4-6-5-3-1;;;;/h4*1-4,7-8,10H,5-6H2;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2