N-[(2S,3S)-1,3-bis(oxidanyl)-4-oxidanylidene-octadecan-2-yl]docosanamide

Systemtic Name: N-[(2S,3S)-1,3-bis(oxidanyl)-4-oxidanylidene-octadecan-2-yl]docosanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3-oxo-heptadecyl]docosanamide CAS Name: N-[(2S,3S)-1,3-dihydroxy-4-oxooctadecan-2-yl]docosanamide IUPAC Name: N-[(2S,3S)-1,3-dihydroxy-4-oxooctadecan-2-yl]docosanamide Traditional Name: N-[(1S,2S)-2-hydroxy-3-keto-1-methylol-heptadecyl]behenamide Formula: C40H79NO4 MolecularWeight: 638.05956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(=O)CCCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37,40,42,45H,3-36H2,1-2H3,(H,41,44)/t37-,40-/m0/s1