[2-azanyloxy-6-(hydroxymethyl)-2-(2-octadecanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] octadecanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-(2-octadecanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] octadecanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-octadecanoyloxytetradecanoyl)-5-sulfooxy-tetrahydropyran-4-yl] octadecanoate CAS Name: octadecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxooctadecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-octadecanoyloxytetradecanoyl)-5-sulfooxyoxan-4-yl] octadecanoate Traditional Name: stearic acid [2-aminooxy-6-methylol-2-(2-stearoyloxytetradecanoyl)-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C56H107NO12S MolecularWeight: 1018.51328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)ON

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)CO)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)ON

InChI

InChI=1S/C56H107NO12S/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-52(59)65-49(44-41-38-35-32-21-18-15-12-9-6-3)55(61)56(69-57)47-50(54(51(48-58)67-56)68-70(62,63)64)66-53(60)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h49-51,54,58H,4-48,57H2,1-3H3,(H,62,63,64)