2-[3-(4-bromanylphenoxy)propyl]oxirane-2-carboxylic acid

Systemtic Name: 2-[3-(4-bromanylphenoxy)propyl]oxirane-2-carboxylic acid Openeye Name: 2-[3-(4-bromophenoxy)propyl]oxirane-2-carboxylic acid CAS Name: 2-[3-(4-bromophenoxy)propyl]-2-oxiranecarboxylic acid IUPAC Name: 2-[3-(4-bromophenoxy)propyl]oxirane-2-carboxylic acid Traditional Name: 2-[3-(4-bromophenoxy)propyl]oxirane-2-carboxylic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCOC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1C(O1)(CCCOC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H13BrO4/c13-9-2-4-10(5-3-9)16-7-1-6-12(8-17-12)11(14)15/h2-5H,1,6-8H2,(H,14,15)