[15-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-15-oxidanylidene-pentadecyl] (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: [15-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-15-oxidanylidene-pentadecyl] (9E,12E)-octadeca-9,12-dienoate Openeye Name: [15-[(3-hexadecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-15-oxo-pentadecyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [15-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-15-oxopentadecyl] ester IUPAC Name: [15-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-15-oxopentadecyl] (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [15-[(3-cetyloxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-15-keto-pentadecyl] ester Formula: C54H103NO6 MolecularWeight: 862.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/C/C=C/CCCCC)O

InChI

InChI=1S/C54H103NO6/c1-3-5-7-9-11-13-15-17-19-20-25-29-33-37-41-45-54(59)61-49-43-39-35-31-27-23-21-24-28-32-36-40-44-53(58)55(46-47-56)50-52(57)51-60-48-42-38-34-30-26-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,52,56-57H,3-10,12,14-16,18,20-51H2,1-2H3/b13-11+,19-17+