N-[(E)-1,3,5-tris(oxidanyl)heptacos-9-en-2-yl]pentadecanamide

Systemtic Name: N-[(E)-1,3,5-tris(oxidanyl)heptacos-9-en-2-yl]pentadecanamide Openeye Name: N-[(E)-2,4-dihydroxy-1-(hydroxymethyl)hexacos-8-enyl]pentadecanamide CAS Name: N-[(E)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide IUPAC Name: N-[(E)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide Traditional Name: N-[(E)-2,4-dihydroxy-1-methylol-hexacos-8-enyl]pentadecanamide Formula: C42H83NO4 MolecularWeight: 666.11272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC=CCCCC(CC(C(CO)NC(=O)CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C=C/CCCC(CC(C(CO)NC(=O)CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+