cyclopenta-1,3-diene; titanium(4+); 1,2,4-tris(fluoranyl)benzene-5-ide

Systemtic Name: cyclopenta-1,3-diene; titanium(4+); 1,2,4-tris(fluoranyl)benzene-5-ide Openeye Name: cyclopenta-1,3-diene; titanium(4+); 1,2,4-trifluorobenzene-5-ide CAS Name: cyclopenta-1,3-diene; titanium(4+); 1,2,4-trifluorobenzene-5-ide IUPAC Name: cyclopenta-1,3-diene; titanium(4+); 1,2,4-trifluorobenzene-5-ide Traditional Name: cyclopenta-1,3-diene; titanium(4+); 1,2,4-trifluorobenzene-5-ide Formula: C22H14F6Ti MolecularWeight: 440.203979

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=[C-]C(=CC(=C1F)F)F.C1=[C-]C(=CC(=C1F)F)F.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=[C-]C(=CC(=C1F)F)F.C1=[C-]C(=CC(=C1F)F)F.[Ti+4]

InChI

InChI=1S/2C6H2F3.2C5H5.Ti/c2*7-4-1-2-5(8)6(9)3-4;2*1-2-4-5-3-1;/h2*2-3H;2*1-3H,4H2;/q4*-1;+4