[4,5-diacetyloxy-6-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[3-(hexadecylthio)-2-[(hexadecylthio)methyl]propoxy]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[3-hexadecylsulfanyl-2-(hexadecylsulfanylmethyl)propoxy]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[3-(cetylthio)-2-[(cetylthio)methyl]propoxy]tetrahydropyran-3-yl] ester Formula: C47H88O8S2 MolecularWeight: 845.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC1C(C(C(CO1)OC(=O)C)OC(=O)C)OC(=O)C)CSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC1C(C(C(CO1)OC(=O)C)OC(=O)C)OC(=O)C)CSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H88O8S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-56-38-43(39-57-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-51-47-46(55-42(5)50)45(54-41(4)49)44(37-52-47)53-40(3)48/h43-47H,6-39H2,1-5H3