N-[(E,3R)-1,3-bis(oxidanyl)icos-4-en-2-yl]-2-bromanyl-ethanamide

Systemtic Name: N-[(E,3R)-1,3-bis(oxidanyl)icos-4-en-2-yl]-2-bromanyl-ethanamide Openeye Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-(hydroxymethyl)nonadec-3-enyl]acetamide CAS Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyeicos-4-en-2-yl]acetamide IUPAC Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyicos-4-en-2-yl]acetamide Traditional Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-methylol-nonadec-3-enyl]acetamide Formula: C22H42BrNO3 MolecularWeight: 448.47778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(C(CO)NC(=O)CBr)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/[C@H](C(CO)NC(=O)CBr)O

InChI

InChI=1S/C22H42BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20(19-25)24-22(27)18-23/h16-17,20-21,25-26H,2-15,18-19H2,1H3,(H,24,27)/b17-16+/t20?,21-/m1/s1