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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-decyl-tetradecanamide Openeye Name: 2-decyl-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]tetradecanamide CAS Name: 2-decyl-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tetradecanamide IUPAC Name: 2-decyl-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tetradecanamide Traditional Name: 2-decyl-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]myristamide Formula: C42H83NO3 MolecularWeight: 650.11332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)C(CCCCCCCCCC)CCCCCCCCCCCC)O

InChI

InChI=1S/C42H83NO3/c1-4-7-10-13-16-19-21-22-23-25-28-31-34-37-41(45)40(38-44)43-42(46)39(35-32-29-26-18-15-12-9-6-3)36-33-30-27-24-20-17-14-11-8-5-2/h34,37,39-41,44-45H,4-33,35-36,38H2,1-3H3,(H,43,46)/b37-34+