1-octylinden-1-ide; zirconium(2+); dichloride

Systemtic Name: 1-octylinden-1-ide; zirconium(2+); dichloride Openeye Name: 1-octylinden-1-ide; zirconium(2+); dichloride CAS Name: 1-octylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-octylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-octylinden-1-ide; zirconium(2+); dichloride Formula: C68H92Cl2Zr2-2 MolecularWeight: 1162.81208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.CCCCCCCC[C-]1C=CC2=CC=CC=C12.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C17H23.2ClH.2Zr/c4*1-2-3-4-5-6-7-10-15-13-14-16-11-8-9-12-17(15)16;;;;/h4*8-9,11-14H,2-7,10H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2