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

Systemtic Name: cyclohexylidenezirconium(2+); 3-cyclopentyl-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-cyclopentyl-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 3-cyclopentyl-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 3-cyclopentyl-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-cyclopentyl-1H-inden-1-ide; dichloride Formula: C68H80Cl2Zr2-2 MolecularWeight: 1150.7168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.C1CCC(C1)C2=C[CH-]C3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C14H15.2C6H10.2ClH.2Zr/c4*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;2*1-2-4-6-5-3-1;;;;/h4*3-4,7-11H,1-2,5-6H2;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2