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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-4-oxidanyl-octanamide Openeye Name: 4-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]octanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxyoctanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-4-hydroxyoctanamide Traditional Name: 4-hydroxy-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]caprylamide Formula: C26H51NO4 MolecularWeight: 441.68744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCC(CCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCC(CCCC)O)O

InChI

InChI=1S/C26H51NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-25(30)24(22-28)27-26(31)21-20-23(29)18-6-4-2/h17,19,23-25,28-30H,3-16,18,20-22H2,1-2H3,(H,27,31)/b19-17+