methyl 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylhexanoate

Systemtic Name: methyl 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylhexanoate Openeye Name: methyl 6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylhexanoate CAS Name: 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanoate Traditional Name: 6-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)thio]hexanoic acid methyl ester Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCSC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

COC(=O)CCCCCSC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C13H24O7S/c1-19-9(15)5-3-2-4-6-21-13-12(18)11(17)10(16)8(7-14)20-13/h8,10-14,16-18H,2-7H2,1H3