5-[(2S)-2-azaniumyl-3-oxidanyl-propyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[(2S)-2-azaniumyl-3-oxidanyl-propyl]-2-oxidanyl-benzoate Openeye Name: 5-[(2S)-2-azaniumyl-3-hydroxy-propyl]-2-hydroxy-benzoate CAS Name: 5-[(2S)-2-ammonio-3-hydroxypropyl]-2-hydroxybenzoate IUPAC Name: 5-[(2S)-2-azaniumyl-3-hydroxypropyl]-2-hydroxybenzoate Traditional Name: 5-[(2S)-2-ammonio-3-hydroxy-propyl]-2-hydroxy-benzoate Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CO)[NH3+])C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](CO)[NH3+])C(=O)[O-])O

InChI

InChI=1S/C10H13NO4/c11-7(5-12)3-6-1-2-9(13)8(4-6)10(14)15/h1-2,4,7,12-13H,3,5,11H2,(H,14,15)/t7-/m0/s1