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

Systemtic Name: [16-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-16-oxidanylidene-hexadecyl] 2-methylheptadecanoate Openeye Name: [16-[(3-hexadecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-oxo-hexadecyl] 2-methylheptadecanoate CAS Name: 2-methylheptadecanoic acid [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] ester IUPAC Name: [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] 2-methylheptadecanoate Traditional Name: 2-methylheptadecanoic acid [16-[(3-cetyloxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-keto-hexadecyl] ester Formula: C55H109NO6 MolecularWeight: 880.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)C(C)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)C(C)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C55H109NO6/c1-4-6-8-10-12-14-16-18-22-26-30-34-38-42-48-61-51-53(58)50-56(46-47-57)54(59)45-41-37-33-29-25-21-19-23-27-31-35-39-43-49-62-55(60)52(3)44-40-36-32-28-24-20-17-15-13-11-9-7-5-2/h52-53,57-58H,4-51H2,1-3H3