butyl-methyl-[2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoyl]oxyethyl]sulfanium iodide

Systemtic Name: butyl-methyl-[2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoyl]oxyethyl]sulfanium iodide Openeye Name: butyl-methyl-[2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxyethyl]sulfonium iodide CAS Name: butyl-methyl-[2-[(2E)-2-nitro-1-oxo-2-(1,3-thiazinan-2-ylidene)ethoxy]ethyl]sulfonium iodide IUPAC Name: butyl-methyl-[2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxyethyl]sulfanium iodide Traditional Name: butyl-methyl-[2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxyethyl]sulfonium iodide Formula: C13H23IN2O4S2 MolecularWeight: 462.36719

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+](C)CCOC(=O)C(=C1NCCCS1)[N+](=O)[O-].[I-]

Isomeric SMILES

CCCC[S+](C)CCOC(=O)/C(=C\1/NCCCS1)/[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H22N2O4S2.HI/c1-3-4-9-21(2)10-7-19-13(16)11(15(17)18)12-14-6-5-8-20-12;/h3-10H2,1-2H3;1H