[2-azanyloxy-5-sulfooxy-6-(sulfooxymethyl)-2-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate

Systemtic Name: [2-azanyloxy-5-sulfooxy-6-(sulfooxymethyl)-2-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-5-sulfooxy-6-(sulfooxymethyl)-2-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-2-[1-oxo-2-(1-oxotetradecoxy)tetradecyl]-5-sulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [2-aminooxy-5-sulfooxy-6-(sulfooxymethyl)-2-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-aminooxy-5-sulfoxy-6-(sulfoxymethyl)-2-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] ester Formula: C48H91NO15S2 MolecularWeight: 986.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)COS(=O)(=O)O)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1CC(OC(C1OS(=O)(=O)O)COS(=O)(=O)O)(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)ON

InChI

InChI=1S/C48H91NO15S2/c1-4-7-10-13-16-19-22-25-28-31-34-37-44(50)60-41(36-33-30-27-24-21-18-15-12-9-6-3)47(52)48(64-49)39-42(46(63-66(56,57)58)43(62-48)40-59-65(53,54)55)61-45(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h41-43,46H,4-40,49H2,1-3H3,(H,53,54,55)(H,56,57,58)