8,8,8-tris(fluoranyl)-2-(4-nitroimidazol-1-yl)octanoic acid

Systemtic Name: 8,8,8-tris(fluoranyl)-2-(4-nitroimidazol-1-yl)octanoic acid Openeye Name: 8,8,8-trifluoro-2-(4-nitroimidazol-1-yl)octanoic acid CAS Name: 8,8,8-trifluoro-2-(4-nitro-1-imidazolyl)octanoic acid IUPAC Name: 8,8,8-trifluoro-2-(4-nitroimidazol-1-yl)octanoic acid Traditional Name: 8,8,8-trifluoro-2-(4-nitroimidazol-1-yl)caprylic acid Formula: C11H14F3N3O4 MolecularWeight: 309.24177

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1C(CCCCCC(F)(F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1C(CCCCCC(F)(F)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14F3N3O4/c12-11(13,14)5-3-1-2-4-8(10(18)19)16-6-9(15-7-16)17(20)21/h6-8H,1-5H2,(H,18,19)