2-[docosanoyl-(3-octadecoxy-2-oxidanyl-propyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 2-[docosanoyl-(3-octadecoxy-2-oxidanyl-propyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: 2-[docosanoyl-(2-hydroxy-3-octadecoxy-propyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 2-[(2-hydroxy-3-octadecoxypropyl)-(1-oxodocosyl)amino]ethyl ester IUPAC Name: 2-[docosanoyl-(2-hydroxy-3-octadecoxypropyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid 2-[docosanoyl-(2-hydroxy-3-stearyloxy-propyl)amino]ethyl ester Formula: C63H121NO5 MolecularWeight: 972.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCCC=CCC=CCCCCC)CC(COCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCC/C=C/C/C=C/CCCCC)CC(COCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C63H121NO5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-62(66)64(56-58-69-63(67)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59-61(65)60-68-57-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h18,21,27,33,61,65H,4-17,19-20,22-26,28-32,34-60H2,1-3H3/b21-18+,33-27+