methyl 12-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyldodecanoate

Systemtic Name: methyl 12-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyldodecanoate Openeye Name: methyl 12-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyldodecanoate CAS Name: 12-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]dodecanoic acid methyl ester IUPAC Name: methyl 12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyldodecanoate Traditional Name: 12-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)thio]lauric acid methyl ester Formula: C19H36O7S MolecularWeight: 408.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCSC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCSC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C19H36O7S/c1-25-15(21)11-9-7-5-3-2-4-6-8-10-12-27-19-18(24)17(23)16(22)14(13-20)26-19/h14,16-20,22-24H,2-13H2,1H3