5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride

Systemtic Name: 5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride Openeye Name: 5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride CAS Name: 5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride IUPAC Name: 5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride Traditional Name: 5,6-dimethyl-1H-inden-1-ide; zirconium(2+); difluoride Formula: C44H44F2Zr2-2 MolecularWeight: 793.264966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.[F-].[F-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.CC1=C(C=C2C=C[CH-]C2=C1)C.[F-].[F-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C11H11.2FH.2Zr/c4*1-8-6-10-4-3-5-11(10)7-9(8)2;;;;/h4*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2