(2R,3S,4S)-1-(6-ethoxyhexyl)-2-(hydroxymethyl)thiolan-1-ium-3,4-diol

Systemtic Name: (2R,3S,4S)-1-(6-ethoxyhexyl)-2-(hydroxymethyl)thiolan-1-ium-3,4-diol Openeye Name: (2R,3S,4S)-1-(6-ethoxyhexyl)-2-(hydroxymethyl)tetrahydrothiophen-1-ium-3,4-diol CAS Name: (2R,3S,4S)-1-(6-ethoxyhexyl)-2-(hydroxymethyl)thiolan-1-ium-3,4-diol IUPAC Name: (2R,3S,4S)-1-(6-ethoxyhexyl)-2-(hydroxymethyl)thiolan-1-ium-3,4-diol Traditional Name: (2R,3S,4S)-1-(6-ethoxyhexyl)-2-methylol-tetrahydrothiophen-1-ium-3,4-diol Formula: C13H27O4S+ MolecularWeight: 279.41608

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCC[S+]1CC(C(C1CO)O)O

Isomeric SMILES

CCOCCCCCC[S+]1C[C@H]([C@@H]([C@H]1CO)O)O

InChI

InChI=1S/C13H27O4S/c1-2-17-7-5-3-4-6-8-18-10-11(15)13(16)12(18)9-14/h11-16H,2-10H2,1H3/q+1/t11-,12-,13+,18?/m1/s1