(E)-N-[(E)-3-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-docos-13-en-3-yl]octadec-9-enamide

Systemtic Name: (E)-N-[(E)-3-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-docos-13-en-3-yl]octadec-9-enamide Openeye Name: (E)-N-[(E)-1-ethyl-2-hydroxy-1-(hydroxymethyl)-3-oxo-icos-11-enyl]octadec-9-enamide CAS Name: (E)-N-[(E)-4-hydroxy-3-(hydroxymethyl)-5-oxodocos-13-en-3-yl]-9-octadecenamide IUPAC Name: (E)-N-[(E)-4-hydroxy-3-(hydroxymethyl)-5-oxodocos-13-en-3-yl]octadec-9-enamide Traditional Name: (E)-N-[(E)-1-ethyl-2-hydroxy-3-keto-1-methylol-eicos-11-enyl]octadec-9-enamide Formula: C41H77NO4 MolecularWeight: 648.05438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(CC)(CO)NC(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(CC)(CO)NC(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C41H77NO4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(44)40(46)41(6-3,37-43)42-39(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,40,43,46H,4-18,23-37H2,1-3H3,(H,42,45)/b21-19+,22-20+