[2-azanyloxy-6-(hydroxymethyl)-2-(2-nonadecanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] nonadecanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-(2-nonadecanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] nonadecanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-nonadecanoyloxytetradecanoyl)-5-sulfooxy-tetrahydropyran-4-yl] nonadecanoate CAS Name: nonadecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxononadecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-nonadecanoyloxytetradecanoyl)-5-sulfooxyoxan-4-yl] nonadecanoate Traditional Name: nonadecanoic acid [2-aminooxy-6-methylol-2-(2-nonadecanoyloxytetradecanoyl)-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C58H111NO12S MolecularWeight: 1046.56644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H111NO12S/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-54(61)67-51(46-43-40-37-34-21-18-15-12-9-6-3)57(63)58(71-59)49-52(56(53(50-60)69-58)70-72(64,65)66)68-55(62)48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h51-53,56,60H,4-50,59H2,1-3H3,(H,64,65,66)