cyclopenta-1,3-diene; titanium(4+); [2,4,5-tris(fluoranyl)benzene-6-id-1-yl] ethanoate

Systemtic Name: cyclopenta-1,3-diene; titanium(4+); [2,4,5-tris(fluoranyl)benzene-6-id-1-yl] ethanoate Openeye Name: cyclopenta-1,3-diene; titanium(4+); (2,4,5-trifluorobenzene-6-id-1-yl) acetate CAS Name: acetic acid (2,4,5-trifluoro-1-benzene-6-idyl) ester; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; titanium(4+); (2,4,5-trifluorobenzene-6-id-1-yl) acetate Traditional Name: acetic acid (2,4,5-trifluorobenzene-6-id-1-yl) ester; cyclopenta-1,3-diene; titanium(4+) Formula: C26H18F6O4Ti MolecularWeight: 556.276139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=[C-]C(=C(C=C1F)F)F.CC(=O)OC1=[C-]C(=C(C=C1F)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC(=O)OC1=[C-]C(=C(C=C1F)F)F.CC(=O)OC1=[C-]C(=C(C=C1F)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C8H4F3O2.2C5H5.Ti/c2*1-4(12)13-8-3-6(10)5(9)2-7(8)11;2*1-2-4-5-3-1;/h2*2H,1H3;2*1-3H,4H2;/q4*-1;+4