phenyl 3-nitro-1,2-oxazole-5-sulfonate

Systemtic Name: phenyl 3-nitro-1,2-oxazole-5-sulfonate Openeye Name: phenyl 3-nitroisoxazole-5-sulfonate CAS Name: 3-nitro-5-isoxazolesulfonic acid phenyl ester IUPAC Name: phenyl 3-nitro-1,2-oxazole-5-sulfonate Traditional Name: 3-nitroisoxazole-5-sulfonic acid phenyl ester Formula: C9H6N2O6S MolecularWeight: 270.21874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=NO2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=NO2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O6S/c12-11(13)8-6-9(16-10-8)18(14,15)17-7-4-2-1-3-5-7/h1-6H