1,2-oxaziridin-3-one; propyl 2-(bromomethyl)-3-octadecyl-benzoate

Systemtic Name: 1,2-oxaziridin-3-one; propyl 2-(bromomethyl)-3-octadecyl-benzoate Openeye Name: oxaziridin-3-one; propyl 2-(bromomethyl)-3-octadecyl-benzoate CAS Name: 2-(bromomethyl)-3-octadecylbenzoic acid propyl ester; 3-oxaziridinone IUPAC Name: oxaziridin-3-one; propyl 2-(bromomethyl)-3-octadecylbenzoate Traditional Name: 2-(bromomethyl)-3-stearyl-benzoic acid propyl ester; oxaziridin-3-one Formula: C30H50BrNO4 MolecularWeight: 568.6263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CBr)C(=O)OCCC.C1(=O)NO1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CBr)C(=O)OCCC.C1(=O)NO1

InChI

InChI=1S/C29H49BrO2.CHNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23-27(28(26)25-30)29(31)32-24-4-2;3-1-2-4-1/h20,22-23H,3-19,21,24-25H2,1-2H3;(H,2,3)