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

Systemtic Name: [12-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-12-oxidanylidene-dodecyl] (9E,12E)-octadeca-9,12-dienoate Openeye Name: [12-[(3-hexadecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-12-oxo-dodecyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [12-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-12-oxododecyl] ester IUPAC Name: [12-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-12-oxododecyl] (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [12-[(3-cetyloxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-12-keto-dodecyl] ester Formula: C51H97NO6 MolecularWeight: 820.31898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H97NO6/c1-3-5-7-9-11-13-15-17-19-20-22-26-30-34-38-42-51(56)58-46-40-36-32-28-24-25-29-33-37-41-50(55)52(43-44-53)47-49(54)48-57-45-39-35-31-27-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,49,53-54H,3-10,12,14-16,18,20-48H2,1-2H3/b13-11+,19-17+