[2-azanyloxy-2-(2-decanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] decanoate

Systemtic Name: [2-azanyloxy-2-(2-decanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] decanoate Openeye Name: [2-aminooxy-2-(2-decanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] decanoate CAS Name: decanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxodecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-2-(2-decanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] decanoate Traditional Name: capric acid [2-aminooxy-2-(2-capryloxytetradecanoyl)-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C40H75NO12S MolecularWeight: 794.088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC)ON)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC)ON)OC(=O)CCCCCCCCC

InChI

InChI=1S/C40H75NO12S/c1-4-7-10-13-16-17-18-21-22-25-28-33(49-36(43)29-26-23-19-14-11-8-5-2)39(45)40(53-41)31-34(38(35(32-42)51-40)52-54(46,47)48)50-37(44)30-27-24-20-15-12-9-6-3/h33-35,38,42H,4-32,41H2,1-3H3,(H,46,47,48)