9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride

Systemtic Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride Openeye Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride CAS Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride IUPAC Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride Traditional Name: 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); difluoride Formula: C54H48F2Zr2-2 MolecularWeight: 917.403726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H9.2C8H8.2C6H7.2FH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-8-6-4-3-5-7-8;2*1-6-4-2-3-5-6;;;;/h2*1-9H;2*3-7H,1H3;2*4-5H,2H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2