[2-azanyloxy-6-(hydroxymethyl)-2-(2-icosanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] icosanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-(2-icosanoyloxytetradecanoyl)-5-sulfooxy-oxan-4-yl] icosanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-icosanoyloxytetradecanoyl)-5-sulfooxy-tetrahydropyran-4-yl] icosanoate CAS Name: eicosanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxoeicosoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-(2-icosanoyloxytetradecanoyl)-5-sulfooxyoxan-4-yl] icosanoate Traditional Name: arachidic acid [2-aminooxy-2-(2-eicosanoyloxytetradecanoyl)-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C60H115NO12S MolecularWeight: 1074.6196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H115NO12S/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-40-43-46-49-56(63)69-53(48-45-42-39-36-21-18-15-12-9-6-3)59(65)60(73-61)51-54(58(55(52-62)71-60)72-74(66,67)68)70-57(64)50-47-44-41-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h53-55,58,62H,4-52,61H2,1-3H3,(H,66,67,68)