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

Systemtic Name: (2R,3S,4S)-1-hexyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride Openeye Name: (2R,3S,4S)-1-hexyl-2-(hydroxymethyl)tetrahydrothiophen-1-ium-3,4-diol chloride CAS Name: (2R,3S,4S)-1-hexyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride IUPAC Name: (2R,3S,4S)-1-hexyl-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride Traditional Name: (2R,3S,4S)-1-hexyl-2-methylol-tetrahydrothiophen-1-ium-3,4-diol chloride Formula: C11H23ClO3S MolecularWeight: 270.81652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23O3S.ClH/c1-2-3-4-5-6-15-8-9(13)11(14)10(15)7-12;/h9-14H,2-8H2,1H3;1H/q+1;/p-1/t9-,10-,11+,15?;/m1./s1