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

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-3-methyl-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-3-methyl-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-6-(hydroxymethyl)-3-methyl-2-[1-oxo-2-(1-oxo-9-phenylnonoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-3-methyl-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-aminooxy-3-methyl-6-methylol-2-[2-(9-phenylnonanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C51H81NO12S MolecularWeight: 932.25334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H81NO12S/c1-3-4-5-6-7-8-9-10-17-28-37-44(60-46(54)38-29-18-13-11-15-22-31-42-33-24-20-25-34-42)50(56)51(64-52)41(2)48(49(45(40-53)62-51)63-65(57,58)59)61-47(55)39-30-19-14-12-16-23-32-43-35-26-21-27-36-43/h20-21,24-27,33-36,41,44-45,48-49,53H,3-19,22-23,28-32,37-40,52H2,1-2H3,(H,57,58,59)