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

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C10H12N2O8S MolecularWeight: 320.27588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O8S/c1-5(13)9(10(15)16)11-21(19,20)6-2-3-8(14)7(4-6)12(17)18/h2-5,9,11,13-14H,1H3,(H,15,16)