2-[2-(acetyloxymethyl)-4-(2-bromanylethanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)-4-(2-bromanylethanoyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-4-(2-bromoacetyl)phenoxy]acetic acid CAS Name: 2-[2-(acetyloxymethyl)-4-(2-bromo-1-oxoethyl)phenoxy]acetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-4-(2-bromoacetyl)phenoxy]acetic acid Traditional Name: 2-[2-(acetoxymethyl)-4-(2-bromoacetyl)phenoxy]acetic acid Formula: C13H13BrO6 MolecularWeight: 345.14272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OCC(=O)O

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OCC(=O)O

InChI

InChI=1S/C13H13BrO6/c1-8(15)19-6-10-4-9(11(16)5-14)2-3-12(10)20-7-13(17)18/h2-4H,5-7H2,1H3,(H,17,18)