2-acetamido-5-nitro-benzenesulfonate

Systemtic Name: 2-acetamido-5-nitro-benzenesulfonate Openeye Name: 2-acetamido-5-nitro-benzenesulfonate CAS Name: 2-acetamido-5-nitrobenzenesulfonate IUPAC Name: 2-acetamido-5-nitrobenzenesulfonate Traditional Name: 2-acetamido-5-nitro-besylate Formula: C8H7N2O6S- MolecularWeight: 259.21598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O6S/c1-5(11)9-7-3-2-6(10(12)13)4-8(7)17(14,15)16/h2-4H,1H3,(H,9,11)(H,14,15,16)/p-1