N-[(6E,9E)-1,3,5-tris(oxidanyl)heptacosa-6,9-dien-2-yl]pentadecanamide

Systemtic Name: N-[(6E,9E)-1,3,5-tris(oxidanyl)heptacosa-6,9-dien-2-yl]pentadecanamide Openeye Name: N-[(5E,8E)-2,4-dihydroxy-1-(hydroxymethyl)hexacosa-5,8-dienyl]pentadecanamide CAS Name: N-[(6E,9E)-1,3,5-trihydroxyheptacosa-6,9-dien-2-yl]pentadecanamide IUPAC Name: N-[(6E,9E)-1,3,5-trihydroxyheptacosa-6,9-dien-2-yl]pentadecanamide Traditional Name: N-[(5E,8E)-2,4-dihydroxy-1-methylol-hexacosa-5,8-dienyl]pentadecanamide Formula: C42H81NO4 MolecularWeight: 664.09684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H81NO4/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/h27,29,33,35,39-41,44-46H,3-26,28,30-32,34,36-38H2,1-2H3,(H,43,47)/b29-27+,35-33+