[2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-5-sulfooxy-2-tetradecanoyl-oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-5-sulfooxy-2-tetradecanoyl-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-2-tetradecanoyl-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-2-(1-oxotetradecyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-2-tetradecanoyloxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid (2-aminooxy-3-hydroxy-6-methylol-5-sulfoxy-2-tetradecanoyl-tetrahydropyran-4-yl) ester Formula: C35H59NO11S MolecularWeight: 701.90806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)O)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)O)ON

InChI

InChI=1S/C35H59NO11S/c1-2-3-4-5-6-7-8-9-10-14-20-25-30(38)35(47-36)34(40)33(32(29(27-37)45-35)46-48(41,42)43)44-31(39)26-21-15-12-11-13-17-22-28-23-18-16-19-24-28/h16,18-19,23-24,29,32-34,37,40H,2-15,17,20-22,25-27,36H2,1H3,(H,41,42,43)