2-hexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-hexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-hexyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2-hexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-hexyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-hexyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C66H88Cl2Zr2-2 MolecularWeight: 1134.75892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CCCCCCC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C15H19.2C3H6.2ClH.2Zr/c4*1-2-3-4-5-8-13-11-14-9-6-7-10-15(14)12-13;2*1-3-2;;;;/h4*6-7,9-12H,2-5,8H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2