[2-[(E)-octadec-9-enoyl]oxy-3-(octadecylamino)propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-(octadecylamino)propyl] (E)-octadec-9-enoate Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-(octadecylamino)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-(octadecylamino)-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-(octadecylamino)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-(stearylamino)propyl] ester Formula: C57H109NO4 MolecularWeight: 872.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H109NO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-53-55(62-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,55,58H,4-25,28,31-54H2,1-3H3/b29-26+,30-27+