methyl 16-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-16-oxidanylidene-hexadecanoate

Systemtic Name: methyl 16-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-16-oxidanylidene-hexadecanoate Openeye Name: methyl 16-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-hexadecanoate CAS Name: 16-oxo-16-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]hexadecanoic acid methyl ester IUPAC Name: methyl 16-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexadecanoate Traditional Name: 16-keto-16-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)thio]palmitic acid methyl ester Formula: C23H42O8S MolecularWeight: 478.63978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCC(=O)SC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCCCCC(=O)SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C23H42O8S/c1-30-18(25)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19(26)32-23-22(29)21(28)20(27)17(16-24)31-23/h17,20-24,27-29H,2-16H2,1H3