N-[(2R,3R,4R)-4-fluoranyl-1,3-bis(oxidanyl)octadecan-2-yl]octadecanamide

Systemtic Name: N-[(2R,3R,4R)-4-fluoranyl-1,3-bis(oxidanyl)octadecan-2-yl]octadecanamide Openeye Name: N-[(1R,2R,3R)-3-fluoro-2-hydroxy-1-(hydroxymethyl)heptadecyl]octadecanamide CAS Name: N-[(2R,3R,4R)-4-fluoro-1,3-dihydroxyoctadecan-2-yl]octadecanamide IUPAC Name: N-[(2R,3R,4R)-4-fluoro-1,3-dihydroxyoctadecan-2-yl]octadecanamide Traditional Name: N-[(1R,2R,3R)-3-fluoro-2-hydroxy-1-methylol-heptadecyl]stearamide Formula: C36H72FNO3 MolecularWeight: 585.960183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)F)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H]([C@@H](CCCCCCCCCCCCCC)F)O

InChI

InChI=1S/C36H72FNO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)38-34(32-39)36(41)33(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,39,41H,3-32H2,1-2H3,(H,38,40)/t33-,34-,36+/m1/s1