2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoyl]oxypropylsulfanium iodide

Systemtic Name: 2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoyl]oxypropylsulfanium iodide Openeye Name: 2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxypropylsulfonium iodide CAS Name: 2-[(2E)-2-nitro-1-oxo-2-(1,3-thiazinan-2-ylidene)ethoxy]propylsulfonium iodide IUPAC Name: 2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxypropylsulfanium iodide Traditional Name: 2-[(2E)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetyl]oxypropylsulfonium iodide Formula: C9H15IN2O4S2 MolecularWeight: 406.26087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[SH2+])OC(=O)C(=C1NCCCS1)[N+](=O)[O-].[I-]

Isomeric SMILES

CC(C[SH2+])OC(=O)/C(=C\1/NCCCS1)/[N+](=O)[O-].[I-]

InChI

InChI=1S/C9H14N2O4S2.HI/c1-6(5-16)15-9(12)7(11(13)14)8-10-3-2-4-17-8;/h6,10,16H,2-5H2,1H3;1H/b8-7+;