5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-benzoic acid; ethanoic acid

Systemtic Name: 5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-benzoic acid; ethanoic acid Openeye Name: acetic acid; 5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-2-hydroxy-benzoic acid CAS Name: acetic acid; 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-hydroxybenzoic acid IUPAC Name: acetic acid; 5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2-hydroxybenzoic acid Traditional Name: acetic acid; 5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-2-hydroxy-benzoic acid Formula: C12H15NO7 MolecularWeight: 285.25

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=C(C=C1CC(C(=O)O)N)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5.C2H4O2/c11-7(10(15)16)4-5-1-2-8(12)6(3-5)9(13)14;1-2(3)4/h1-3,7,12H,4,11H2,(H,13,14)(H,15,16);1H3,(H,3,4)/t7-;/m0./s1