(2S)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]propionic acid Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SN[C@@H](CO)C(=O)O

InChI

InChI=1S/C9H10N2O5S/c12-5-6(9(13)14)10-17-8-4-2-1-3-7(8)11(15)16/h1-4,6,10,12H,5H2,(H,13,14)/t6-/m0/s1