N-[(E)-9-methyl-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-oxidanyl-hexadecanamide

Systemtic Name: N-[(E)-9-methyl-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-oxidanyl-hexadecanamide Openeye Name: 2-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-heptadec-3-enyl]hexadecanamide CAS Name: N-[(E)-1,3-dihydroxy-9-methyloctadec-4-en-2-yl]-2-hydroxyhexadecanamide IUPAC Name: N-[(E)-1,3-dihydroxy-9-methyloctadec-4-en-2-yl]-2-hydroxyhexadecanamide Traditional Name: 2-hydroxy-N-[(E)-2-hydroxy-8-methyl-1-methylol-heptadec-3-enyl]palmitamide Formula: C35H69NO4 MolecularWeight: 567.92666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCCC(C)CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CCCC(C)CCCCCCCCC)O)O

InChI

InChI=1S/C35H69NO4/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h25,28,31-34,37-39H,4-24,26-27,29-30H2,1-3H3,(H,36,40)/b28-25+