[(2S,3S)-3-nitropentan-2-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S,3S)-3-nitropentan-2-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S,2S)-1-methyl-2-nitro-butyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [(2S,3S)-3-nitropentan-2-yl] ester IUPAC Name: [(2S,3S)-3-nitropentan-2-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [(1S,2S)-1-methyl-2-nitro-butyl] ester Formula: C7H10F3NO4 MolecularWeight: 229.15381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H](C)OC(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H10F3NO4/c1-3-5(11(13)14)4(2)15-6(12)7(8,9)10/h4-5H,3H2,1-2H3/t4-,5-/m0/s1