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

Systemtic Name: [3-oxidanyl-5-[3-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Openeye Name: [3-hydroxy-5-[3-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [3-hydroxy-5-[[1-oxo-3-(1-oxo-9-phenylnonoxy)tetradecyl]amino]-4-oxanyl] ester IUPAC Name: [3-hydroxy-5-[3-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [3-hydroxy-5-[3-(9-phenylnonanoyloxy)tetradecanoylamino]tetrahydropyran-4-yl] ester Formula: C49H77NO7 MolecularWeight: 792.13818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC1COCC(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)OC(=O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)NC1COCC(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)OC(=O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C49H77NO7/c1-2-3-4-5-6-7-8-15-26-35-43(56-47(53)36-27-16-11-9-13-20-29-41-31-22-18-23-32-41)38-46(52)50-44-39-55-40-45(51)49(44)57-48(54)37-28-17-12-10-14-21-30-42-33-24-19-25-34-42/h18-19,22-25,31-34,43-45,49,51H,2-17,20-21,26-30,35-40H2,1H3,(H,50,52)