3-(acetyloxymethyl)-2-carboxy-8-oxidanyl-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium

Systemtic Name: 3-(acetyloxymethyl)-2-carboxy-8-oxidanyl-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium Openeye Name: 3-(acetoxymethyl)-2-carboxy-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium CAS Name: 3-(acetyloxymethyl)-2-carboxy-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium IUPAC Name: 3-(acetyloxymethyl)-2-carboxy-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium Traditional Name: 3-(acetoxymethyl)-2-carboxy-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-7-diazonium Formula: C10H10N3O5S+ MolecularWeight: 284.2685

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(=C2O)[N+]#N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(=C2O)[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