[2-octadecanoyloxy-3-[3,4,5-tris(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-propyl] octadecanoate; sodium

Systemtic Name: [2-octadecanoyloxy-3-[3,4,5-tris(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-propyl] octadecanoate; sodium Openeye Name: [2-octadecanoyloxy-3-[3,4,5-trihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-propyl] octadecanoate; sodium CAS Name: octadecanoic acid [2-(1-oxooctadecoxy)-3-[[3,4,5-trihydroxy-6-(sulfooxymethyl)-2-oxanyl]oxy]propyl] ester; sodium IUPAC Name: [2-octadecanoyloxy-3-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxypropyl] octadecanoate; sodium Traditional Name: sodium; stearic acid [2-stearoyloxy-3-[3,4,5-trihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-propyl] ester Formula: C45H86NaO13S MolecularWeight: 890.21131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na]

InChI

InChI=1S/C45H86O13S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(58-45)37-56-59(51,52)53)57-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38-39,42-45,48-50H,3-37H2,1-2H3,(H,51,52,53);