[3-[10-(diethylamino)-9-oxidanyl-11-(3-pentyloxiran-2-yl)undecanoyl]oxy-2-(9-oxidanyloctadecanoyloxy)propyl] 10-(diethylamino)-9,12-bis(oxidanyl)octadecanoate

Systemtic Name: [3-[10-(diethylamino)-9-oxidanyl-11-(3-pentyloxiran-2-yl)undecanoyl]oxy-2-(9-oxidanyloctadecanoyloxy)propyl] 10-(diethylamino)-9,12-bis(oxidanyl)octadecanoate Openeye Name: [3-[10-(diethylamino)-9-hydroxy-11-(3-pentyloxiran-2-yl)undecanoyl]oxy-2-(9-hydroxyoctadecanoyloxy)propyl] 10-(diethylamino)-9,12-dihydroxy-octadecanoate CAS Name: 10-(diethylamino)-9,12-dihydroxyoctadecanoic acid [3-[10-(diethylamino)-9-hydroxy-1-oxo-11-(3-pentyl-2-oxiranyl)undecoxy]-2-(9-hydroxy-1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[10-(diethylamino)-9-hydroxy-11-(3-pentyloxiran-2-yl)undecanoyl]oxy-2-(9-hydroxyoctadecanoyloxy)propyl] 10-(diethylamino)-9,12-dihydroxyoctadecanoate Traditional Name: 10-(diethylamino)-9,12-dihydroxy-stearic acid [3-[11-(3-amyloxiran-2-yl)-10-(diethylamino)-9-hydroxy-undecanoyl]oxy-2-(9-hydroxyoctadecanoyloxy)propyl] ester Formula: C65H126N2O11 MolecularWeight: 1111.70274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C(CC1C(O1)CCCCC)N(CC)CC)O)COC(=O)CCCCCCCC(C(CC(CCCCCC)O)N(CC)CC)O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC(COC(=O)CCCCCCCC(C(CC1C(O1)CCCCC)N(CC)CC)O)COC(=O)CCCCCCCC(C(CC(CCCCCC)O)N(CC)CC)O)O

InChI

InChI=1S/C65H126N2O11/c1-8-15-18-20-21-25-34-41-54(68)42-35-26-22-31-40-49-65(74)77-56(52-75-63(72)47-38-29-23-27-36-44-59(70)57(66(11-4)12-5)50-55(69)43-33-19-16-9-2)53-76-64(73)48-39-30-24-28-37-45-60(71)58(67(13-6)14-7)51-62-61(78-62)46-32-17-10-3/h54-62,68-71H,8-53H2,1-7H3