(2R)-2-azanyl-2-deuterio-3-fluoranyl-propanoic acid; benzenesulfonic acid

Systemtic Name: (2R)-2-azanyl-2-deuterio-3-fluoranyl-propanoic acid; benzenesulfonic acid Openeye Name: (2R)-2-amino-2-deuterio-3-fluoro-propanoic acid; benzenesulfonic acid CAS Name: (2R)-2-amino-2-deuterio-3-fluoropropanoic acid; benzenesulfonic acid IUPAC Name: (2R)-2-amino-2-deuterio-3-fluoropropanoic acid; benzenesulfonic acid Traditional Name: (2R)-2-amino-2-deuterio-3-fluoro-propionic acid; besylic acid Formula: C9H12FNO5S MolecularWeight: 266.264845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C(C(C(=O)O)N)F

Isomeric SMILES

[2H][C@](CF)(C(=O)O)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C6H6O3S.C3H6FNO2/c7-10(8,9)6-4-2-1-3-5-6;4-1-2(5)3(6)7/h1-5H,(H,7,8,9);2H,1,5H2,(H,6,7)/t;2-/m.0/s1/i;2D