N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-16-oxidanyl-hexadecanamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-16-oxidanyl-hexadecanamide Openeye Name: 16-hydroxy-N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexadecanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-16-hydroxyhexadecanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-16-hydroxyhexadecanamide Traditional Name: 16-hydroxy-N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]palmitamide Formula: C34H67NO4 MolecularWeight: 553.90008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCO)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCO)O

InChI

InChI=1S/C34H67NO4/c1-2-3-4-5-6-7-8-10-13-16-19-22-25-28-33(38)32(31-37)35-34(39)29-26-23-20-17-14-11-9-12-15-18-21-24-27-30-36/h25,28,32-33,36-38H,2-24,26-27,29-31H2,1H3,(H,35,39)/b28-25+/t32-,33+/m0/s1