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

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-(9-phenylnonanoyl)-3-(9-phenylnonanoyloxy)-5-sulfooxy-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-(9-phenylnonanoyl)-3-(9-phenylnonanoyloxy)-5-sulfooxy-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-6-(hydroxymethyl)-3-(1-oxo-9-phenylnonoxy)-2-(1-oxo-9-phenylnonyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-(9-phenylnonanoyl)-3-(9-phenylnonanoyloxy)-5-sulfooxyoxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-aminooxy-6-methylol-2-(9-phenylnonanoyl)-3-(9-phenylnonanoyloxy)-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C51H73NO12S MolecularWeight: 924.18982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC(=O)C2(C(C(C(C(O2)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC3=CC=CC=C3)OC(=O)CCCCCCCCC4=CC=CC=C4)ON

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC(=O)C2(C(C(C(C(O2)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC3=CC=CC=C3)OC(=O)CCCCCCCCC4=CC=CC=C4)ON

InChI

InChI=1S/C51H73NO12S/c52-64-51(45(54)37-25-10-4-1-7-16-28-41-31-19-13-20-32-41)50(61-47(56)39-27-12-6-3-9-18-30-43-35-23-15-24-36-43)49(48(44(40-53)62-51)63-65(57,58)59)60-46(55)38-26-11-5-2-8-17-29-42-33-21-14-22-34-42/h13-15,19-24,31-36,44,48-50,53H,1-12,16-18,25-30,37-40,52H2,(H,57,58,59)