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

Systemtic Name: N-[(E,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-bromanyl-hexanamide Openeye Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexanamide CAS Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide IUPAC Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide Traditional Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]hexanamide Formula: C24H46BrNO3 MolecularWeight: 476.53094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46BrNO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(28)22(20-27)26-24(29)21(25)18-6-4-2/h17,19,21-23,27-28H,3-16,18,20H2,1-2H3,(H,26,29)/b19-17+/t21?,22?,23-/m1/s1