(4-bromophenyl)methyl 2-(2-oxidanylidene-1,3,2-oxazaphosphinan-2-ium-3-yl)ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-(2-oxidanylidene-1,3,2-oxazaphosphinan-2-ium-3-yl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-(2-oxo-1,3,2-oxazaphosphinan-2-ium-3-yl)acetate CAS Name: 2-(2-oxo-1,3,2-oxazaphosphorinan-2-ium-3-yl)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2-oxo-1,3,2-oxazaphosphinan-2-ium-3-yl)acetate Traditional Name: 2-(2-keto-1,3,2-oxazaphosphorinan-2-ium-3-yl)acetic acid (4-bromobenzyl) ester Formula: C12H14BrNO4P+ MolecularWeight: 347.121621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN([P+](=O)OC1)CC(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

C1CN([P+](=O)OC1)CC(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrNO4P/c13-11-4-2-10(3-5-11)9-17-12(15)8-14-6-1-7-18-19(14)16/h2-5H,1,6-9H2/q+1