2-[3-oxidanylidene-3-[oxidanylidene(thiolan-3-yl)azaniumyl]propyl]sulfanylethanoate

Systemtic Name: 2-[3-oxidanylidene-3-[oxidanylidene(thiolan-3-yl)azaniumyl]propyl]sulfanylethanoate Openeye Name: 2-[3-oxo-3-[oxo(tetrahydrothiophen-3-yl)ammonio]propyl]sulfanylacetate CAS Name: 2-[[3-oxo-3-[oxo(3-thiolanyl)ammonio]propyl]thio]acetate IUPAC Name: 2-[3-oxo-3-[oxo(thiolan-3-yl)azaniumyl]propyl]sulfanylacetate Traditional Name: 2-[[3-keto-3-[keto(tetrahydrothiophen-3-yl)ammonio]propyl]thio]acetate Formula: C9H13NO4S2 MolecularWeight: 263.33382

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1[N+](=O)C(=O)CCSCC(=O)[O-]

Isomeric SMILES

C1CSCC1[N+](=O)C(=O)CCSCC(=O)[O-]

InChI

InChI=1S/C9H13NO4S2/c11-8(2-4-16-6-9(12)13)10(14)7-1-3-15-5-7/h7H,1-6H2