1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride

Systemtic Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride Openeye Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride CAS Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride IUPAC Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride Traditional Name: 1-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); trifluoride Formula: C60H45F3Zr3 MolecularWeight: 1096.66651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C20H15.3FH.3Zr/c3*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;;;;;;/h3*2-13H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3