[(2S)-3-methyl-1-oxidanylidene-1-phenoxy-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-phenoxy-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-2-methyl-1-phenoxycarbonyl-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-3-methyl-1-oxo-1-phenoxybutan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-3-methyl-1-oxo-1-phenoxybutan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-carbophenoxy-2-methyl-propyl]ammonium; 2,2,2-trifluoroacetate Formula: C13H16F3NO4 MolecularWeight: 307.26565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC=C1)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=CC=C1)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H15NO2.C2HF3O2/c1-8(2)10(12)11(13)14-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-8,10H,12H2,1-2H3;(H,6,7)/t10-;/m0./s1