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

Systemtic Name: N-[(E,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-bromanyl-butanamide Openeye Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]butanamide CAS Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide IUPAC Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide Traditional Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]butyramide Formula: C22H42BrNO3 MolecularWeight: 448.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42BrNO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20(18-25)24-22(27)19(23)4-2/h16-17,19-21,25-26H,3-15,18H2,1-2H3,(H,24,27)/b17-16+/t19?,20?,21-/m1/s1