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

Systemtic Name: 2,4-bis(fluoranyl)-1-isocyanato-benzene-3-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; 2,4-difluoro-1-isocyanato-benzene-3-ide; titanium(4+) CAS Name: cyclopenta-1,3-diene; 2,4-difluoro-1-isocyanatobenzene-3-ide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; 2,4-difluoro-1-isocyanatobenzene-3-ide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 2,4-difluoro-1-isocyanato-benzene-3-ide; titanium(4+) Formula: C24H14F4N2O2Ti MolecularWeight: 486.240773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H2F2NO.2C5H5.Ti/c2*8-5-1-2-7(10-4-11)6(9)3-5;2*1-2-4-5-3-1;/h2*1-2H;2*1-3H,4H2;/q4*-1;+4