N-[(E,2S,3R,6R)-1,3,6-tris(oxidanyl)octadec-4-en-2-yl]octanamide

Systemtic Name: N-[(E,2S,3R,6R)-1,3,6-tris(oxidanyl)octadec-4-en-2-yl]octanamide Openeye Name: N-[(E,1S,2R,5R)-2,5-dihydroxy-1-(hydroxymethyl)heptadec-3-enyl]octanamide CAS Name: N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]octanamide IUPAC Name: N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]octanamide Traditional Name: N-[(E,1S,2R,5R)-2,5-dihydroxy-1-methylol-heptadec-3-enyl]caprylamide Formula: C26H51NO4 MolecularWeight: 441.68744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C=CC(C(CO)NC(=O)CCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)O)O

InChI

InChI=1S/C26H51NO4/c1-3-5-7-9-10-11-12-13-15-16-18-23(29)20-21-25(30)24(22-28)27-26(31)19-17-14-8-6-4-2/h20-21,23-25,28-30H,3-19,22H2,1-2H3,(H,27,31)/b21-20+/t23-,24+,25-/m1/s1