[6-(2-hexadecanoyloxy-3-octadec-15-enoyloxy-propoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid

Systemtic Name: [6-(2-hexadecanoyloxy-3-octadec-15-enoyloxy-propoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid Openeye Name: [6-(2-hexadecanoyloxy-3-octadec-15-enoyloxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid CAS Name: [3,4,5-trihydroxy-6-[2-(1-oxohexadecoxy)-3-(1-oxooctadec-15-enoxy)propoxy]-2-oxanyl]methanesulfonic acid IUPAC Name: [6-(2-hexadecanoyloxy-3-octadec-15-enoyloxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid Traditional Name: [6-(2-hexadecanoyloxy-3-octadec-15-enoyloxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid Formula: C43H80O12S MolecularWeight: 821.1531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)COC(=O)CCCCCCCCCCCCCC=CCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)COC(=O)CCCCCCCCCCCCCC=CCC

InChI

InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,36-37,40-43,46-48H,3-4,6,8-35H2,1-2H3,(H,49,50,51)