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

Systemtic Name: [2-(hydroxymethyl)-3-oxidanyl-5-(3-phenylmethoxytetradecanoylamino)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-allyloxy-3-(3-benzyloxytetradecanoylamino)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [3-hydroxy-2-(hydroxymethyl)-5-[(1-oxo-3-phenylmethoxytetradecyl)amino]-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-5-(3-phenylmethoxytetradecanoylamino)-6-prop-2-enoxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-allyloxy-3-(3-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)CC(CCCCCCCCCCC)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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