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

Systemtic Name: N-[(E,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-bromanyl-propanamide Openeye Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]propanamide CAS Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]propanamide IUPAC Name: 2-bromo-N-[(E,3R)-1,3-dihydroxyoctadec-4-en-2-yl]propanamide Traditional Name: 2-bromo-N-[(E,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]propionamide Formula: C21H40BrNO3 MolecularWeight: 434.4512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19(17-24)23-21(26)18(2)22/h15-16,18-20,24-25H,3-14,17H2,1-2H3,(H,23,26)/b16-15+/t18?,19?,20-/m1/s1