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

Systemtic Name: [3-oxidanyl-2-(phenylmethoxycarbonyloxymethyl)-5-(3-phenylmethoxytetradecanoylamino)-6-prop-2-enoxy-oxan-4-yl] 3-tetradecanoyloxytetradecanoate Openeye Name: [2-allyloxy-6-(benzyloxycarbonyloxymethyl)-3-(3-benzyloxytetradecanoylamino)-5-hydroxy-tetrahydropyran-4-yl] 3-tetradecanoyloxytetradecanoate CAS Name: 3-(1-oxotetradecoxy)tetradecanoic acid [3-hydroxy-5-[(1-oxo-3-phenylmethoxytetradecyl)amino]-2-(phenylmethoxycarbonyloxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-(phenylmethoxycarbonyloxymethyl)-5-(3-phenylmethoxytetradecanoylamino)-6-prop-2-enoxyoxan-4-yl] 3-tetradecanoyloxytetradecanoate Traditional Name: 3-tetradecanoyloxymyristic acid [2-allyloxy-3-(3-benzoxytetradecanoylamino)-6-(carbobenzoxyoxymethyl)-5-hydroxy-tetrahydropyran-4-yl] ester Formula: C66H107NO12 MolecularWeight: 1106.55528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)COC(=O)OCC2=CC=CC=C2)OCC=C)NC(=O)CC(CCCCCCCCCCC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1O)COC(=O)OCC2=CC=CC=C2)OCC=C)NC(=O)CC(CCCCCCCCCCC)OCC3=CC=CC=C3

InChI

InChI=1S/C66H107NO12/c1-5-9-12-15-18-21-22-25-28-31-40-47-60(69)77-57(46-39-30-27-24-20-17-14-11-7-3)50-61(70)79-64-62(65(73-48-8-4)78-58(63(64)71)53-76-66(72)75-52-55-43-36-33-37-44-55)67-59(68)49-56(74-51-54-41-34-32-35-42-54)45-38-29-26-23-19-16-13-10-6-2/h8,32-37,41-44,56-58,62-65,71H,4-7,9-31,38-40,45-53H2,1-3H3,(H,67,68)