ethyl 3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]propanoate

Systemtic Name: ethyl 3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]propanoate Openeye Name: ethyl 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]propanoate CAS Name: 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfonyl]propanoate Traditional Name: 3-(5-oxido-4-phenyl-furazan-5-ium-3-yl)sulfonylpropionic acid ethyl ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCS(=O)(=O)C1=NO[N+](=C1C2=CC=CC=C2)[O-]

Isomeric SMILES

CCOC(=O)CCS(=O)(=O)C1=NO[N+](=C1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H14N2O6S/c1-2-20-11(16)8-9-22(18,19)13-12(15(17)21-14-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3