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

Systemtic Name: sodium [6-(3-octadecanoyloxy-2-oxidanyl-propoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanesulfonate Openeye Name: sodium [3,4,5-tribenzyloxy-6-(2-hydroxy-3-octadecanoyloxy-propoxy)tetrahydropyran-2-yl]methanesulfonate CAS Name: sodium [6-[2-hydroxy-3-(1-oxooctadecoxy)propoxy]-3,4,5-tris(phenylmethoxy)-2-oxanyl]methanesulfonate IUPAC Name: sodium [6-(2-hydroxy-3-octadecanoyloxypropoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanesulfonate Traditional Name: sodium [3,4,5-tribenzoxy-6-(2-hydroxy-3-stearoyloxy-propoxy)tetrahydropyran-2-yl]methanesulfonate Formula: C48H69NaO11S MolecularWeight: 877.10963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=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

CCCCCCCCCCCCCCCCCC(=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/C48H70O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-44(50)54-36-42(49)37-58-48-47(57-35-41-30-23-18-24-31-41)46(56-34-40-28-21-17-22-29-40)45(43(59-48)38-60(51,52)53)55-33-39-26-19-16-20-27-39;/h16-24,26-31,42-43,45-49H,2-15,25,32-38H2,1H3,(H,51,52,53);/q;+1/p-1