cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+) Openeye Name: cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+) CAS Name: cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 1-methyl-3-(trifluoromethyl)benzene-4-ide; titanium(4+) Formula: C26H22F6Ti MolecularWeight: 496.310299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C(=C1)C(F)(F)F.CC1=CC=[C-]C(=C1)C(F)(F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC1=CC=[C-]C(=C1)C(F)(F)F.CC1=CC=[C-]C(=C1)C(F)(F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C8H6F3.2C5H5.Ti/c2*1-6-3-2-4-7(5-6)8(9,10)11;2*1-2-4-5-3-1;/h2*2-3,5H,1H3;2*1-3H,4H2;/q4*-1;+4