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

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

Systemtic Name:N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-butyl-octanamide
Openeye Name:2-butyl-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]octanamide
CAS Name:2-butyl-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]octanamide
IUPAC Name:2-butyl-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]octanamide
Traditional Name:2-butyl-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]caprylamide
Formula: C30H59NO3
MolecularWeight: 481.79436
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H59NO3/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-25-29(33)28(26-32)31-30(34)27(23-9-6-3)24-21-11-8-5-2/h22,25,27-29,32-33H,4-21,23-24,26H2,1-3H3,(H,31,34)/b25-22+


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