N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-12-oxidanyl-octadecanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-12-oxidanyl-octadecanamide Openeye Name: 12-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]octadecanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-12-hydroxyoctadecanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-12-hydroxyoctadecanamide Traditional Name: 12-hydroxy-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]stearamide Formula: C36H71NO4 MolecularWeight: 581.95324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C36H71NO4/c1-3-5-7-9-10-11-12-13-14-15-19-22-26-30-35(40)34(32-38)37-36(41)31-27-23-20-17-16-18-21-25-29-33(39)28-24-8-6-4-2/h26,30,33-35,38-40H,3-25,27-29,31-32H2,1-2H3,(H,37,41)/b30-26+