2-[(3,5-dinitrophenyl)sulfanylamino]propanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)sulfanylamino]propanoic acid Openeye Name: 2-[(3,5-dinitrophenyl)sulfanylamino]propanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)thio]amino]propanoic acid IUPAC Name: 2-[(3,5-dinitrophenyl)sulfanylamino]propanoic acid Traditional Name: 2-[[(3,5-dinitrophenyl)thio]amino]propionic acid Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NSC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NSC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c1-5(9(13)14)10-19-8-3-6(11(15)16)2-7(4-8)12(17)18/h2-5,10H,1H3,(H,13,14)