[2-azanyloxy-2-(2-dodecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] dodecanoate

Systemtic Name: [2-azanyloxy-2-(2-dodecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] dodecanoate Openeye Name: [2-aminooxy-2-(2-dodecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] dodecanoate CAS Name: dodecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxododecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-2-(2-dodecanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] dodecanoate Traditional Name: lauric acid [2-aminooxy-2-(2-lauroyloxytetradecanoyl)-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C44H83NO12S MolecularWeight: 850.19432

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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)CCCCCCCCCCC)ON)OC(=O)CCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H83NO12S/c1-4-7-10-13-16-19-22-23-26-29-32-37(53-40(47)33-30-27-24-20-17-14-11-8-5-2)43(49)44(57-45)35-38(42(39(36-46)55-44)56-58(50,51)52)54-41(48)34-31-28-25-21-18-15-12-9-6-3/h37-39,42,46H,4-36,45H2,1-3H3,(H,50,51,52)