[2-(iodanylmethyl)-3-oxidanyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-(iodanylmethyl)-3-oxidanyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Openeye Name: [3-hydroxy-2-(iodomethyl)-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [3-hydroxy-2-(iodomethyl)-5-[[1-oxo-2-(1-oxo-9-phenylnonoxy)tetradecyl]amino]-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-(iodomethyl)-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [3-hydroxy-2-(iodomethyl)-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] ester Formula: C50H78INO7 MolecularWeight: 932.06129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)CI)OC(=O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)CI)OC(=O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C50H78INO7/c1-2-3-4-5-6-7-8-9-16-27-36-44(58-46(53)37-28-17-12-10-14-21-30-41-32-23-19-24-33-41)50(56)52-43-40-57-45(39-51)48(55)49(43)59-47(54)38-29-18-13-11-15-22-31-42-34-25-20-26-35-42/h19-20,23-26,32-35,43-45,48-49,55H,2-18,21-22,27-31,36-40H2,1H3,(H,52,56)