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

Systemtic Name: sodium [6-(3-hexadecanoyloxy-2-oxidanyl-propoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonate Openeye Name: sodium [6-(3-hexadecanoyloxy-2-hydroxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonate CAS Name: sodium [3,4,5-trihydroxy-6-[2-hydroxy-3-(1-oxohexadecoxy)propoxy]-2-oxanyl]methanesulfonate IUPAC Name: sodium [6-(3-hexadecanoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonate Traditional Name: sodium [6-(3-hexadecanoyloxy-2-hydroxy-propoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonate Formula: C25H47NaO11S MolecularWeight: 578.68885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])O)O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])O)O)O)O.[Na+]

InChI

InChI=1S/C25H48O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)34-16-19(26)17-35-25-24(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);/q;+1/p-1