(E)-12-oxidanyl-N-[2-oxidanyl-3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]octadec-9-enamide

Systemtic Name: (E)-12-oxidanyl-N-[2-oxidanyl-3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]octadec-9-enamide Openeye Name: (E)-12-hydroxy-N-[2-hydroxy-3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]octadec-9-enamide CAS Name: (E)-12-hydroxy-N-[2-hydroxy-3-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl]-9-octadecenamide IUPAC Name: (E)-12-hydroxy-N-[2-hydroxy-3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]octadec-9-enamide Traditional Name: (E)-12-hydroxy-N-[2-hydroxy-3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]octadec-9-enamide Formula: C39H74N2O5 MolecularWeight: 651.01526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCC=CCC(CCCCCC)O)O)O

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCC/C=C/CC(O)CCCCCC

InChI

InChI=1S/C39H74N2O5/c1-3-5-7-21-27-35(42)29-23-17-13-9-11-15-19-25-31-38(45)40-33-37(44)34-41-39(46)32-26-20-16-12-10-14-18-24-30-36(43)28-22-8-6-4-2/h17-18,23-24,35-37,42-44H,3-16,19-22,25-34H2,1-2H3,(H,40,45)(H,41,46)/b23-17+,24-18+