2-[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]-2-fluoranyl-propanedioic acid

Systemtic Name: 2-[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]-2-fluoranyl-propanedioic acid Openeye Name: 2-[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-2-fluoro-propanedioic acid CAS Name: 2-[4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]-2-fluoropropanedioic acid IUPAC Name: 2-[4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]-2-fluoropropanedioic acid Traditional Name: 2-[4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]phenoxy]-2-fluoro-malonic acid Formula: C12H12FNO7 MolecularWeight: 301.224583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F

InChI

InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1