6-(hydroxymethyl)-3-octylsulfanyloxy-oxane-2,4,5-triol

Systemtic Name: 6-(hydroxymethyl)-3-octylsulfanyloxy-oxane-2,4,5-triol Openeye Name: 6-(hydroxymethyl)-3-octylsulfanyloxy-tetrahydropyran-2,4,5-triol CAS Name: 1-octanesulfenic acid IUPAC Name: 6-(hydroxymethyl)-3-octylsulfanyloxyoxane-2,4,5-triol Traditional Name: 6-methylol-3-(octylthio)oxy-tetrahydropyran-2,4,5-triol Formula: C14H28O6S MolecularWeight: 324.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSOC1C(C(C(OC1O)CO)O)O

Isomeric SMILES

CCCCCCCCSOC1C(C(C(OC1O)CO)O)O

InChI

InChI=1S/C14H28O6S/c1-2-3-4-5-6-7-8-21-20-13-12(17)11(16)10(9-15)19-14(13)18/h10-18H,2-9H2,1H3