N-[(E,3S)-1,3,4-tris(oxidanyl)octadec-8-en-2-yl]docosanamide

Systemtic Name: N-[(E,3S)-1,3,4-tris(oxidanyl)octadec-8-en-2-yl]docosanamide Openeye Name: N-[(E,2S)-2,3-dihydroxy-1-(hydroxymethyl)heptadec-7-enyl]docosanamide CAS Name: N-[(E,3S)-1,3,4-trihydroxyoctadec-8-en-2-yl]docosanamide IUPAC Name: N-[(E,3S)-1,3,4-trihydroxyoctadec-8-en-2-yl]docosanamide Traditional Name: N-[(E,2S)-2,3-dihydroxy-1-methylol-heptadec-7-enyl]behenamide Formula: C40H79NO4 MolecularWeight: 638.05956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCC=CCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)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/h26,28,37-38,40,42-43,45H,3-25,27,29-36H2,1-2H3,(H,41,44)/b28-26+/t37?,38?,40-/m0/s1