[16-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-16-oxidanylidene-hexadecyl] 12-oxidanyloctadecanoate

Systemtic Name: [16-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-16-oxidanylidene-hexadecyl] 12-oxidanyloctadecanoate Openeye Name: [16-[(3-hexadecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-oxo-hexadecyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] ester IUPAC Name: [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid [16-[(3-cetyloxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-keto-hexadecyl] ester Formula: C55H109NO7 MolecularWeight: 896.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C55H109NO7/c1-3-5-7-9-10-11-12-13-16-19-24-29-34-40-48-62-51-53(59)50-56(46-47-57)54(60)44-38-32-27-21-18-15-14-17-20-25-30-35-41-49-63-55(61)45-39-33-28-23-22-26-31-37-43-52(58)42-36-8-6-4-2/h52-53,57-59H,3-51H2,1-2H3