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

Systemtic Name: 1-pentylinden-1-ide; zirconium(2+); dichloride Openeye Name: 1-pentylinden-1-ide; zirconium(2+); dichloride CAS Name: 1-pentylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-pentylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-amylinden-1-ide; zirconium(2+); dichloride Formula: C56H68Cl2Zr2-2 MolecularWeight: 994.49312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C14H17.2ClH.2Zr/c4*1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13;;;;/h4*5-6,8-11H,2-4,7H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2