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

Systemtic Name: cyclohexylidenezirconium(2+); 3-(1-phenylethyl)-1H-inden-1-ide; dichloride Openeye Name: cyclohexylidenezirconium(2+); 3-(1-phenylethyl)-1H-inden-1-ide; dichloride CAS Name: cyclohexylidenezirconium(2+); 3-(1-phenylethyl)-1H-inden-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium(2+); 3-(1-phenylethyl)-1H-inden-1-ide; dichloride Traditional Name: cyclohexylidenezirconium(2+); 3-(1-phenylethyl)-1H-inden-1-ide; dichloride Formula: C80H80Cl2Zr2-2 MolecularWeight: 1294.8452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

Isomeric SMILES

CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.CC(C1=C[CH-]C2=CC=CC=C21)C3=CC=CC=C3.C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.[Cl-].[Cl-]

InChI

InChI=1S/4C17H15.2C6H10.2ClH.2Zr/c4*1-13(14-7-3-2-4-8-14)16-12-11-15-9-5-6-10-17(15)16;2*1-2-4-6-5-3-1;;;;/h4*2-13H,1H3;2*1-5H2;2*1H;;/q4*-1;;;;;2*+2/p-2