2-[5-(2-bromanylpropanoyl)-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-(2-bromanylpropanoyl)-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-(2-bromopropanoyl)-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-(2-bromo-1-oxopropyl)-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-(2-bromopropanoyl)-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-(2-bromopropanoyl)-2-methoxy-phenyl]acetic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)OC)CC(=O)O)Br

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)OC)CC(=O)O)Br

InChI

InChI=1S/C12H13BrO4/c1-7(13)12(16)8-3-4-10(17-2)9(5-8)6-11(14)15/h3-5,7H,6H2,1-2H3,(H,14,15)