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

Systemtic Name: 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); difluoride Openeye Name: 9H-fluoren-9-ide; 2-isopropylcyclopenta-1,3-diene; isopropylidenezirconium(2+); difluoride CAS Name: 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); difluoride IUPAC Name: 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); difluoride Traditional Name: 9H-fluoren-9-ide; 2-isopropylcyclopenta-1,3-diene; isopropylidenezirconium(2+); difluoride Formula: C48H52F2Zr2-2 MolecularWeight: 849.371286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H9.2C8H11.2C3H6.2FH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-7(2)8-5-3-4-6-8;2*1-3-2;;;;/h2*1-9H;2*5-7H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2