2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]propionic acid Formula: C9H10N2O8S MolecularWeight: 306.2493

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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)NC(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)