[3-(acetyloxymethyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid

Systemtic Name: [3-(acetyloxymethyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid Openeye Name: [3-(acetoxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid CAS Name: [3-(acetyloxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid IUPAC Name: [3-(acetyloxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid Traditional Name: [3-(acetoxymethyl)-7-azido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]phosphonic acid Formula: C9H11N4O6PS MolecularWeight: 334.245601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N4O6PS/c1-4(14)19-2-5-3-21-9-6(11-12-10)7(15)13(9)8(5)20(16,17)18/h6,9H,2-3H2,1H3,(H2,16,17,18)