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

Systemtic Name: N-[(E,3R)-1,3-bis(oxidanyl)dodec-4-en-2-yl]-2-bromanyl-ethanamide Openeye Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-(hydroxymethyl)undec-3-enyl]acetamide CAS Name: 2-bromo-N-[(E,3R)-1,3-dihydroxydodec-4-en-2-yl]acetamide IUPAC Name: 2-bromo-N-[(E,3R)-1,3-dihydroxydodec-4-en-2-yl]acetamide Traditional Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-methylol-undec-3-enyl]acetamide Formula: C14H26BrNO3 MolecularWeight: 336.26514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26BrNO3/c1-2-3-4-5-6-7-8-9-13(18)12(11-17)16-14(19)10-15/h8-9,12-13,17-18H,2-7,10-11H2,1H3,(H,16,19)/b9-8+/t12?,13-/m1/s1