N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]butanamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]butanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]butanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]butyramide Formula: C22H43NO3 MolecularWeight: 369.58172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O

InChI

InChI=1S/C22H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h16,18,20-21,24-25H,3-15,17,19H2,1-2H3,(H,23,26)/b18-16+/t20-,21+/m0/s1