4-acetamido-3-[(2S)-2,3-bis(oxidanyl)propyl]benzoic acid

Systemtic Name: 4-acetamido-3-[(2S)-2,3-bis(oxidanyl)propyl]benzoic acid Openeye Name: 4-acetamido-3-[(2S)-2,3-dihydroxypropyl]benzoic acid CAS Name: 4-acetamido-3-[(2S)-2,3-dihydroxypropyl]benzoic acid IUPAC Name: 4-acetamido-3-[(2S)-2,3-dihydroxypropyl]benzoic acid Traditional Name: 4-acetamido-3-[(2S)-2,3-dihydroxypropyl]benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)CC(CO)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)C[C@@H](CO)O

InChI

InChI=1S/C12H15NO5/c1-7(15)13-11-3-2-8(12(17)18)4-9(11)5-10(16)6-14/h2-4,10,14,16H,5-6H2,1H3,(H,13,15)(H,17,18)/t10-/m0/s1