[14-[2-azanyloxy-6-(hydroxymethyl)-3-methyl-5-sulfooxy-4-tetradecanoyloxy-oxan-2-yl]-14-oxidanylidene-tetradecyl] tetradecanoate

Systemtic Name: [14-[2-azanyloxy-6-(hydroxymethyl)-3-methyl-5-sulfooxy-4-tetradecanoyloxy-oxan-2-yl]-14-oxidanylidene-tetradecyl] tetradecanoate Openeye Name: [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-5-sulfooxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]-14-oxo-tetradecyl] tetradecanoate CAS Name: tetradecanoic acid [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-4-(1-oxotetradecoxy)-5-sulfooxy-2-oxanyl]-14-oxotetradecyl] ester IUPAC Name: [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-5-sulfooxy-4-tetradecanoyloxyoxan-2-yl]-14-oxotetradecyl] tetradecanoate Traditional Name: myristic acid [14-(2-aminooxy-3-methyl-6-methylol-5-sulfoxy-4-tetradecanoyloxy-tetrahydropyran-2-yl)-14-keto-tetradecyl] ester Formula: C49H93NO12S MolecularWeight: 920.32722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCC)C)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCC)C)ON

InChI

InChI=1S/C49H93NO12S/c1-4-6-8-10-12-14-17-22-26-30-34-38-45(53)58-40-36-32-28-24-20-16-19-21-25-29-33-37-44(52)49(62-50)42(3)47(48(43(41-51)60-49)61-63(55,56)57)59-46(54)39-35-31-27-23-18-15-13-11-9-7-5-2/h42-43,47-48,51H,4-41,50H2,1-3H3,(H,55,56,57)