[2-azanyloxy-6-(hydroxymethyl)-2-[2-(8-phenoxyoctanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 8-phenoxyoctanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(8-phenoxyoctanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 8-phenoxyoctanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(8-phenoxyoctanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 8-phenoxyoctanoate CAS Name: 8-phenoxyoctanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-8-phenoxyoctoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(8-phenoxyoctanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 8-phenoxyoctanoate Traditional Name: 8-phenoxycaprylic acid [2-aminooxy-6-methylol-2-[2-(8-phenoxyoctanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C48H75NO14S MolecularWeight: 922.1724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCOC2=CC=CC=C2)ON)OC(=O)CCCCCCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCOC2=CC=CC=C2)ON)OC(=O)CCCCCCCOC3=CC=CC=C3

InChI

InChI=1S/C48H75NO14S/c1-2-3-4-5-6-7-8-9-12-23-32-41(59-44(51)33-24-13-10-15-26-35-57-39-28-19-17-20-29-39)47(53)48(63-49)37-42(46(43(38-50)61-48)62-64(54,55)56)60-45(52)34-25-14-11-16-27-36-58-40-30-21-18-22-31-40/h17-22,28-31,41-43,46,50H,2-16,23-27,32-38,49H2,1H3,(H,54,55,56)