[(2S)-3-oxidanyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-3-oxidanyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-2-benzyloxy-1-(hydroxymethyl)-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-2-benzoxy-2-keto-1-methylol-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C12H14F3NO5 MolecularWeight: 309.23847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CO)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CO)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H13NO3.C2HF3O2/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,9,12H,6-7,11H2;(H,6,7)/t9-;/m0./s1