2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)ethanoyl]oxyethylsulfanium iodide

Systemtic Name: 2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)ethanoyl]oxyethylsulfanium iodide Openeye Name: 2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetyl]oxyethylsulfonium iodide CAS Name: 2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)-1-oxoethoxy]ethylsulfonium iodide IUPAC Name: 2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetyl]oxyethylsulfanium iodide Traditional Name: 2-[(2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetyl]oxyethylsulfonium iodide Formula: C8H13IN2O5S MolecularWeight: 376.16869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=O)OCC[SH2+])[N+](=O)[O-])OC1.[I-]

Isomeric SMILES

C1CN/C(=C(\C(=O)OCC[SH2+])/[N+](=O)[O-])/OC1.[I-]

InChI

InChI=1S/C8H12N2O5S.HI/c11-8(15-4-5-16)6(10(12)13)7-9-2-1-3-14-7;/h9,16H,1-5H2;1H/b7-6-;