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

Systemtic Name: (2R,3S,4S)-1-butyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride Openeye Name: (2R,3S,4S)-1-butyl-2-(hydroxymethyl)tetrahydrothiophen-1-ium-3,4-diol chloride CAS Name: (2R,3S,4S)-1-butyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride IUPAC Name: (2R,3S,4S)-1-butyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride Traditional Name: (2R,3S,4S)-1-butyl-2-methylol-tetrahydrothiophen-1-ium-3,4-diol chloride Formula: C9H19ClO3S MolecularWeight: 242.76336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+]1CC(C(C1CO)O)O.[Cl-]

Isomeric SMILES

CCCC[S+]1C[C@H]([C@@H]([C@H]1CO)O)O.[Cl-]

InChI

InChI=1S/C9H19O3S.ClH/c1-2-3-4-13-6-7(11)9(12)8(13)5-10;/h7-12H,2-6H2,1H3;1H/q+1;/p-1/t7-,8-,9+,13?;/m1./s1