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

Systemtic Name: methyl 12-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]octadecanoate Openeye Name: methyl 12-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]octadecanoate CAS Name: 12-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]octadecanoic acid methyl ester IUPAC Name: methyl 12-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]octadecanoate Traditional Name: 12-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)stearic acid methyl ester Formula: C25H48O6S MolecularWeight: 476.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OC)C1C(C(C(C(S1)CO)O)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OC)C1C(C(C(C(S1)CO)O)O)O

InChI

InChI=1S/C25H48O6S/c1-3-4-5-12-15-19(25-24(30)23(29)22(28)20(18-26)32-25)16-13-10-8-6-7-9-11-14-17-21(27)31-2/h19-20,22-26,28-30H,3-18H2,1-2H3