5-acetamido-3-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-acetamido-3-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-acetamido-2-hydroxy-3-nitro-benzenesulfonic acid CAS Name: 5-acetamido-2-hydroxy-3-nitrobenzenesulfonic acid IUPAC Name: 5-acetamido-2-hydroxy-3-nitrobenzenesulfonic acid Traditional Name: 5-acetamido-2-hydroxy-3-nitro-besylic acid Formula: C8H8N2O7S MolecularWeight: 276.22332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O7S/c1-4(11)9-5-2-6(10(13)14)8(12)7(3-5)18(15,16)17/h2-3,12H,1H3,(H,9,11)(H,15,16,17)