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

Systemtic Name: N-[(2S,3R)-4-methylidene-1,3-bis(oxidanyl)octadecan-2-yl]octanamide Openeye Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-3-methylene-heptadecyl]octanamide CAS Name: N-[(2S,3R)-1,3-dihydroxy-4-methyleneoctadecan-2-yl]octanamide IUPAC Name: N-[(2S,3R)-1,3-dihydroxy-4-methylideneoctadecan-2-yl]octanamide Traditional Name: N-[(1S,2R)-2-hydroxy-1-methylol-3-myristyl-but-3-enyl]caprylamide Formula: C27H53NO3 MolecularWeight: 439.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=C)C(C(CO)NC(=O)CCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO3/c1-4-6-8-10-11-12-13-14-15-16-18-19-21-24(3)27(31)25(23-29)28-26(30)22-20-17-9-7-5-2/h25,27,29,31H,3-23H2,1-2H3,(H,28,30)/t25-,27+/m0/s1