N-[(2S,3R)-1,3-bis(oxidanyl)octadec-4-yn-2-yl]octanamide

Systemtic Name: N-[(2S,3R)-1,3-bis(oxidanyl)octadec-4-yn-2-yl]octanamide Openeye Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-ynyl]octanamide CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadec-4-yn-2-yl]octanamide IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadec-4-yn-2-yl]octanamide Traditional Name: N-[(1S,2R)-2-hydroxy-1-methylol-heptadec-3-ynyl]caprylamide Formula: C26H49NO3 MolecularWeight: 423.67216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C(CO)NC(=O)CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@H]([C@H](CO)NC(=O)CCCCCCC)O

InChI

InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1