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

Systemtic Name: 1-butylinden-1-ide; zirconium(2+); dichloride Openeye Name: 1-butylinden-1-ide; zirconium(2+); dichloride CAS Name: 1-butylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-butylinden-1-ide; zirconium(2+); dichloride Traditional Name: 1-butylinden-1-ide; zirconium(2+); dichloride Formula: C52H60Cl2Zr2-2 MolecularWeight: 938.3868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C13H15.2ClH.2Zr/c4*1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;;;;/h4*4-5,7-10H,2-3,6H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2