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

Systemtic Name: sodium [6-(3-hexadecanoyloxy-2-oxidanyl-propoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanesulfonate Openeye Name: sodium [3,4,5-tribenzyloxy-6-(3-hexadecanoyloxy-2-hydroxy-propoxy)tetrahydropyran-2-yl]methanesulfonate CAS Name: sodium [6-[2-hydroxy-3-(1-oxohexadecoxy)propoxy]-3,4,5-tris(phenylmethoxy)-2-oxanyl]methanesulfonate IUPAC Name: sodium [6-(3-hexadecanoyloxy-2-hydroxypropoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanesulfonate Traditional Name: sodium [3,4,5-tribenzoxy-6-(3-hexadecanoyloxy-2-hydroxy-propoxy)tetrahydropyran-2-yl]methanesulfonate Formula: C46H65NaO11S MolecularWeight: 849.05647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)[O-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O.[Na+]

InChI

InChI=1S/C46H66O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-42(48)52-34-40(47)35-56-46-45(55-33-39-28-21-16-22-29-39)44(54-32-38-26-19-15-20-27-38)43(41(57-46)36-58(49,50)51)53-31-37-24-17-14-18-25-37;/h14-22,24-29,40-41,43-47H,2-13,23,30-36H2,1H3,(H,49,50,51);/q;+1/p-1