[(3S)-2-oxidanylidene-1-phenylmethoxycarbonyl-azetidin-3-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(3S)-2-oxidanylidene-1-phenylmethoxycarbonyl-azetidin-3-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(3S)-1-benzyloxycarbonyl-2-oxo-azetidin-3-yl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(3S)-2-oxo-1-phenylmethoxycarbonyl-3-azetidinyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(3S)-2-oxo-1-phenylmethoxycarbonylazetidin-3-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(3S)-1-carbobenzoxy-2-keto-azetidin-3-yl]ammonium; 2,2,2-trifluoroacetate Formula: C13H13F3N2O5 MolecularWeight: 334.24793

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1C(=O)OCC2=CC=CC=C2)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1[C@@H](C(=O)N1C(=O)OCC2=CC=CC=C2)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H12N2O3.C2HF3O2/c12-9-6-13(10(9)14)11(15)16-7-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,9H,6-7,12H2;(H,6,7)/t9-;/m0./s1