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4-acetamido-3-nitro-benzenesulfonate

4-acetamido-3-nitro-benzenesulfonate

Systemtic Name:4-acetamido-3-nitro-benzenesulfonate
Openeye Name:4-acetamido-3-nitro-benzenesulfonate
CAS Name:4-acetamido-3-nitrobenzenesulfonate
IUPAC Name:4-acetamido-3-nitrobenzenesulfonate
Traditional Name:4-acetamido-3-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)S(=O)(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

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


InChI

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


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