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

Systemtic Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxidanyl-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Openeye Name: [3-hydroxy-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]-2-(p-tolylsulfonyloxymethyl)tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [3-hydroxy-2-[(4-methylphenyl)sulfonyloxymethyl]-5-[[1-oxo-2-(1-oxo-9-phenylnonoxy)tetradecyl]amino]-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-[(4-methylphenyl)sulfonyloxymethyl]-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]oxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [3-hydroxy-5-[2-(9-phenylnonanoyloxy)tetradecanoylamino]-2-(tosyloxymethyl)tetrahydropyran-4-yl] ester Formula: C57H85NO10S MolecularWeight: 976.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)COS(=O)(=O)C3=CC=C(C=C3)C)OC(=O)CCCCCCCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1COC(C(C1OC(=O)CCCCCCCCC2=CC=CC=C2)O)COS(=O)(=O)C3=CC=C(C=C3)C)OC(=O)CCCCCCCCC4=CC=CC=C4

InChI

InChI=1S/C57H85NO10S/c1-3-4-5-6-7-8-9-10-17-28-37-51(67-53(59)38-29-18-13-11-15-22-31-47-33-24-20-25-34-47)57(62)58-50-44-65-52(45-66-69(63,64)49-42-40-46(2)41-43-49)55(61)56(50)68-54(60)39-30-19-14-12-16-23-32-48-35-26-21-27-36-48/h20-21,24-27,33-36,40-43,50-52,55-56,61H,3-19,22-23,28-32,37-39,44-45H2,1-2H3,(H,58,62)