N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-16-(16-oxidanylhexadecoxy)hexadecanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-16-(16-oxidanylhexadecoxy)hexadecanamide Openeye Name: 16-(16-hydroxyhexadecoxy)-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexadecanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-16-(16-hydroxyhexadecoxy)hexadecanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-16-(16-hydroxyhexadecoxy)hexadecanamide Traditional Name: 16-(16-hydroxyhexadecoxy)-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]palmitamide Formula: C50H99NO5 MolecularWeight: 794.32476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCO)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCO)O

InChI

InChI=1S/C50H99NO5/c1-2-3-4-5-6-7-8-12-17-22-27-32-37-42-49(54)48(47-53)51-50(55)43-38-33-28-23-18-13-11-16-21-26-31-36-41-46-56-45-40-35-30-25-20-15-10-9-14-19-24-29-34-39-44-52/h37,42,48-49,52-54H,2-36,38-41,43-47H2,1H3,(H,51,55)/b42-37+