3-acetamido-5-nitro-4-oxidanidyl-benzenesulfonate

Systemtic Name: 3-acetamido-5-nitro-4-oxidanidyl-benzenesulfonate Openeye Name: 3-acetamido-5-nitro-4-oxido-benzenesulfonate CAS Name: 3-acetamido-5-nitro-4-oxidobenzenesulfonate IUPAC Name: 3-acetamido-5-nitro-4-oxidobenzenesulfonate Traditional Name: 3-acetamido-5-nitro-4-oxido-besylate Formula: C8H6N2O7S-2 MolecularWeight: 274.20744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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