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

Systemtic Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octyl-thiolan-1-ium-3,4-diol Openeye Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octyl-tetrahydrothiophen-1-ium-3,4-diol CAS Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octylthiolan-1-ium-3,4-diol IUPAC Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octylthiolan-1-ium-3,4-diol Traditional Name: (2R,3S,4S)-2-methylol-1-octyl-tetrahydrothiophen-1-ium-3,4-diol Formula: C13H27O3S+ MolecularWeight: 263.41668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27O3S/c1-2-3-4-5-6-7-8-17-10-11(15)13(16)12(17)9-14/h11-16H,2-10H2,1H3/q+1/t11-,12-,13+,17?/m1/s1