(2S)-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: (2S)-3-hydroxy-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[(3-nitro-4-oxidophenyl)sulfonylamino]propanoate IUPAC Name: (2S)-3-hydroxy-2-[(3-nitro-4-oxidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]propionate Formula: C9H8N2O8S-2 MolecularWeight: 304.23342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NC(CO)C(=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N[C@@H](CO)C(=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H10N2O8S/c12-4-6(9(14)15)10-20(18,19)5-1-2-8(13)7(3-5)11(16)17/h1-3,6,10,12-13H,4H2,(H,14,15)/p-2/t6-/m0/s1