[2-(hydroxymethyl)-3-oxidanyl-5-(2-phenylmethoxytetradecanoylamino)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Systemtic Name: [2-(hydroxymethyl)-3-oxidanyl-5-(2-phenylmethoxytetradecanoylamino)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-allyloxy-3-(2-benzyloxytetradecanoylamino)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [3-hydroxy-2-(hydroxymethyl)-5-[(1-oxo-2-phenylmethoxytetradecyl)amino]-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-5-(2-phenylmethoxytetradecanoylamino)-6-prop-2-enoxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-allyloxy-3-(2-benzoxytetradecanoylamino)-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C58H101NO10 MolecularWeight: 972.42324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(CCCCCCCCCCCC)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C(CCCCCCCCCCCC)OCC2=CC=CC=C2

InChI

InChI=1S/C58H101NO10/c1-5-9-12-15-18-21-23-26-29-32-38-43-52(61)67-49(41-36-30-27-24-20-17-14-11-7-3)45-53(62)69-56-54(58(65-44-8-4)68-51(46-60)55(56)63)59-57(64)50(66-47-48-39-34-33-35-40-48)42-37-31-28-25-22-19-16-13-10-6-2/h8,33-35,39-40,49-51,54-56,58,60,63H,4-7,9-32,36-38,41-47H2,1-3H3,(H,59,64)