2-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: 2-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[3-(hexadecylthio)-2-[(hexadecylthio)methyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[3-(cetylthio)-2-[(cetylthio)methyl]propoxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C42H84O6S2 MolecularWeight: 749.24276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC1C(C(C(C(O1)CO)O)O)O)CSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC1C(C(C(C(O1)CO)O)O)O)CSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H84O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-35-37(34-47-42-41(46)40(45)39(44)38(33-43)48-42)36-50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-46H,3-36H2,1-2H3