1H-inden-1-ide; pentan-3-ylidenezirconium(2+); dichloride

Systemtic Name: 1H-inden-1-ide; pentan-3-ylidenezirconium(2+); dichloride Openeye Name: 1-ethylpropylidenezirconium(2+); 1H-inden-1-ide; dichloride CAS Name: 1H-inden-1-ide; pentan-3-ylidenezirconium(2+); dichloride IUPAC Name: 1H-inden-1-ide; pentan-3-ylidenezirconium(2+); dichloride Traditional Name: 1-ethylpropylidenezirconium(2+); 1H-inden-1-ide; dichloride Formula: C46H48Cl2Zr2-2 MolecularWeight: 854.22732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=[Zr+2])CC.CCC(=[Zr+2])CC.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CCC(=[Zr+2])CC.CCC(=[Zr+2])CC.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/4C9H7.2C5H10.2ClH.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-5-4-2;;;;/h4*1-7H;2*3-4H2,1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2