2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-ethyl-4,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C52H60Cl2Zr2-2 MolecularWeight: 938.3868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCC1=CC2=C(C=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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