9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); trifluoride

Systemtic Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); trifluoride Openeye Name: 9H-fluoren-9-ide; isopropylidenezirconium(2+); 2-methylcyclopenta-1,3-diene; trifluoride CAS Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); trifluoride IUPAC Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); trifluoride Traditional Name: 9H-fluoren-9-ide; isopropylidenezirconium(2+); 2-methylcyclopenta-1,3-diene; trifluoride Formula: C66H66F3Zr3-3 MolecularWeight: 1189.89745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC(=[Zr+2])C.CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[F-].[F-].[F-]

Isomeric SMILES

CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC1=CC[C-]=C1.CC(=[Zr+2])C.CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[F-].[F-].[F-]

InChI

InChI=1S/3C13H9.3C6H7.3C3H6.3FH.3Zr/c3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-6-4-2-3-5-6;3*1-3-2;;;;;;/h3*1-9H;3*4-5H,2H2,1H3;3*1-2H3;3*1H;;;/q6*-1;;;;;;;3*+2/p-3