[(2S)-3-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-2-hydroxy-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(3,5-difluoro-4-hydroxy-benzyl)-2-hydroxy-2-keto-ethyl]ammonium Formula: C9H10F2NO3+ MolecularWeight: 218.177406

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)O)F)CC(C(=O)O)[NH3+]

Isomeric SMILES

C1=C(C=C(C(=C1F)O)F)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p+1/t7-/m0/s1