[(2R,3S,4R,5R,6S)-5-[2,2-bis(chloranyl)ethoxycarbonylamino]-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] tetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-[2,2-bis(chloranyl)ethoxycarbonylamino]-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] tetradecanoate Openeye Name: [(2S,3R,4R,5S,6R)-2-allyloxy-5-benzyloxy-3-(2,2-dichloroethoxycarbonylamino)-6-(hydroxymethyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2R,3S,4R,5R,6S)-5-[[2,2-dichloroethoxy(oxo)methyl]amino]-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-(2,2-dichloroethoxycarbonylamino)-2-(hydroxymethyl)-3-phenylmethoxy-6-prop-2-enoxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2S,3R,4R,5S,6R)-2-allyloxy-5-benzoxy-3-(2,2-dichloroethoxycarbonylamino)-6-methylol-tetrahydropyran-4-yl] ester Formula: C33H51Cl2NO8 MolecularWeight: 660.66594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OCC2=CC=CC=C2)CO)OCC=C)NC(=O)OCC(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)CO)OCC=C)NC(=O)OCC(Cl)Cl

InChI

InChI=1S/C33H51Cl2NO8/c1-3-5-6-7-8-9-10-11-12-13-17-20-28(38)44-31-29(36-33(39)42-24-27(34)35)32(40-21-4-2)43-26(22-37)30(31)41-23-25-18-15-14-16-19-25/h4,14-16,18-19,26-27,29-32,37H,2-3,5-13,17,20-24H2,1H3,(H,36,39)/t26-,29-,30-,31-,32+/m1/s1