[14-[2-azanyloxy-6-(hydroxymethyl)-3-methyl-4-(9-phenylnonanoyloxy)-5-sulfooxy-oxan-2-yl]-14-oxidanylidene-tetradecyl] 9-phenylnonanoate

Systemtic Name: [14-[2-azanyloxy-6-(hydroxymethyl)-3-methyl-4-(9-phenylnonanoyloxy)-5-sulfooxy-oxan-2-yl]-14-oxidanylidene-tetradecyl] 9-phenylnonanoate Openeye Name: [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-4-(9-phenylnonanoyloxy)-5-sulfooxy-tetrahydropyran-2-yl]-14-oxo-tetradecyl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-4-(1-oxo-9-phenylnonoxy)-5-sulfooxy-2-oxanyl]-14-oxotetradecyl] ester IUPAC Name: [14-[2-aminooxy-6-(hydroxymethyl)-3-methyl-4-(9-phenylnonanoyloxy)-5-sulfooxyoxan-2-yl]-14-oxotetradecyl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [14-[2-aminooxy-3-methyl-6-methylol-4-(9-phenylnonanoyloxy)-5-sulfoxy-tetrahydropyran-2-yl]-14-keto-tetradecyl] ester Formula: C51H81NO12S MolecularWeight: 932.25334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OC1(C(=O)CCCCCCCCCCCCCOC(=O)CCCCCCCCC2=CC=CC=C2)ON)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1C(C(C(OC1(C(=O)CCCCCCCCCCCCCOC(=O)CCCCCCCCC2=CC=CC=C2)ON)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C51H81NO12S/c1-42-49(61-48(56)39-29-17-11-9-14-22-32-44-35-25-20-26-36-44)50(63-65(57,58)59)45(41-53)62-51(42,64-52)46(54)37-27-15-7-5-3-2-4-6-12-18-30-40-60-47(55)38-28-16-10-8-13-21-31-43-33-23-19-24-34-43/h19-20,23-26,33-36,42,45,49-50,53H,2-18,21-22,27-32,37-41,52H2,1H3,(H,57,58,59)