methyl 2-[4-(2-bromanylethanoyl)phenoxy]dodecanoate

Systemtic Name: methyl 2-[4-(2-bromanylethanoyl)phenoxy]dodecanoate Openeye Name: methyl 2-[4-(2-bromoacetyl)phenoxy]dodecanoate CAS Name: 2-[4-(2-bromo-1-oxoethyl)phenoxy]dodecanoic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromoacetyl)phenoxy]dodecanoate Traditional Name: 2-[4-(2-bromoacetyl)phenoxy]lauric acid methyl ester Formula: C21H31BrO4 MolecularWeight: 427.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OC)OC1=CC=C(C=C1)C(=O)CBr

Isomeric SMILES

CCCCCCCCCCC(C(=O)OC)OC1=CC=C(C=C1)C(=O)CBr

InChI

InChI=1S/C21H31BrO4/c1-3-4-5-6-7-8-9-10-11-20(21(24)25-2)26-18-14-12-17(13-15-18)19(23)16-22/h12-15,20H,3-11,16H2,1-2H3