cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene

Systemtic Name: cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene Openeye Name: cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene CAS Name: cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene IUPAC Name: cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene Traditional Name: cyclopenta-1,3-diene; titanium(4+); trifluoromethylbenzene Formula: C24H18F6Ti MolecularWeight: 468.257139

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C([C-]=C1)C(F)(F)F.C1=CC=C([C-]=C1)C(F)(F)F.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C([C-]=C1)C(F)(F)F.C1=CC=C([C-]=C1)C(F)(F)F.[Ti+4]

InChI

InChI=1S/2C7H4F3.2C5H5.Ti/c2*8-7(9,10)6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h2*1-4H;2*1-3H,4H2;/q4*-1;+4