[2-azanyloxy-2-(2-hexanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] hexanoate

Systemtic Name: [2-azanyloxy-2-(2-hexanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] hexanoate Openeye Name: [2-aminooxy-2-(2-hexanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] hexanoate CAS Name: hexanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxohexoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-2-(2-hexanoyloxytetradecanoyl)-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] hexanoate Traditional Name: hexanoic acid [2-aminooxy-2-(2-caproyloxytetradecanoyl)-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C32H59NO12S MolecularWeight: 681.87536

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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)CCCCC)ON)OC(=O)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H59NO12S/c1-4-7-10-11-12-13-14-15-16-19-20-25(41-28(35)21-17-8-5-2)31(37)32(45-33)23-26(42-29(36)22-18-9-6-3)30(27(24-34)43-32)44-46(38,39)40/h25-27,30,34H,4-24,33H2,1-3H3,(H,38,39,40)