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

Systemtic Name: [6-(2-hexadecanoyloxy-3-oxidanyl-propoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid Openeye Name: [6-(2-hexadecanoyloxy-3-hydroxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid CAS Name: [3,4,5-trihydroxy-6-[3-hydroxy-2-(1-oxohexadecoxy)propoxy]-2-oxanyl]methanesulfonic acid IUPAC Name: [6-(2-hexadecanoyloxy-3-hydroxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid Traditional Name: [6-(2-hexadecanoyloxy-3-hydroxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid Formula: C25H48O11S MolecularWeight: 556.70702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O

InChI

InChI=1S/C25H48O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)35-19(16-26)17-34-25-24(30)23(29)22(28)20(36-25)18-37(31,32)33/h19-20,22-26,28-30H,2-18H2,1H3,(H,31,32,33)