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

Systemtic Name: 1-hexylinden-1-ide; zirconium(2+); dichloride Openeye Name: 1-hexylinden-1-ide; zirconium(2+); dichloride CAS Name: 1-hexylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-hexylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-hexylinden-1-ide; zirconium(2+); dichloride Formula: C60H76Cl2Zr2-2 MolecularWeight: 1050.59944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C15H19.2ClH.2Zr/c4*1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14;;;;/h4*6-7,9-12H,2-5,8H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2