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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]pentacosanamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]pentacosanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]pentacosanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]pentacosanamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]pentacosanamide Formula: C43H85NO3 MolecularWeight: 664.1399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+