[(2S)-1-oxidanylidene-1-phenoxy-pent-4-en-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenoxy-pent-4-en-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-1-phenoxycarbonylbut-3-enyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-oxo-1-phenoxypent-4-en-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-oxo-1-phenoxypent-4-en-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-carbophenoxybut-3-enyl]ammonium; 2,2,2-trifluoroacetate Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2.C2HF3O2/c1-2-6-10(12)11(13)14-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-5,7-8,10H,1,6,12H2;(H,6,7)/t10-;/m0./s1