3-(acetyloxymethyl)-7-diazonio-8-oxidanidyl-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate

Systemtic Name: 3-(acetyloxymethyl)-7-diazonio-8-oxidanidyl-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-7-diazonio-8-oxido-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-diazonio-8-oxido-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-7-diazonio-8-oxido-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-diazonio-8-oxido-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylate Formula: C10H8N3O5S- MolecularWeight: 282.25262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(=C2[O-])[N+]#N)SC1)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(=C2[O-])[N+]#N)SC1)C(=O)[O-]

InChI

InChI=1S/C10H9N3O5S/c1-4(14)18-2-5-3-19-9-6(12-11)8(15)13(9)7(5)10(16)17/h9H,2-3H2,1H3,(H-,15,16,17)/p-1