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

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-3-oxidanyl-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyl-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyl-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-3-(1-oxo-9-phenylnonoxy)-2-(1-oxotetradecyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-hydroxy-6-(hydroxymethyl)-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyloxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-aminooxy-3-hydroxy-6-methylol-3-(9-phenylnonanoyloxy)-5-sulfoxy-2-tetradecanoyl-tetrahydropyran-4-yl] ester Formula: C50H79NO13S MolecularWeight: 934.22616

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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)OC(=O)CCCCCCCCC3=CC=CC=C3)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)(O)OC(=O)CCCCCCCCC3=CC=CC=C3)ON

InChI

InChI=1S/C50H79NO13S/c1-2-3-4-5-6-7-8-9-10-17-28-37-44(53)50(64-51)49(56,62-46(55)39-30-19-14-12-16-23-32-42-35-26-21-27-36-42)48(47(43(40-52)61-50)63-65(57,58)59)60-45(54)38-29-18-13-11-15-22-31-41-33-24-20-25-34-41/h20-21,24-27,33-36,43,47-48,52,56H,2-19,22-23,28-32,37-40,51H2,1H3,(H,57,58,59)