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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-3-oxidanyl-butanamide Openeye Name: 3-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]butanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hydroxybutanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hydroxybutanamide Traditional Name: 3-hydroxy-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]butyramide Formula: C22H43NO4 MolecularWeight: 385.58112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CC(C)O)O

InChI

InChI=1S/C22H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)20(18-24)23-22(27)17-19(2)25/h15-16,19-21,24-26H,3-14,17-18H2,1-2H3,(H,23,27)/b16-15+