2-[4-(3-bromanylpropoxy)-3-ethanoyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanylpropoxy)-3-ethanoyl-phenyl]ethanoic acid Openeye Name: 2-[3-acetyl-4-(3-bromopropoxy)phenyl]acetic acid CAS Name: 2-[3-acetyl-4-(3-bromopropoxy)phenyl]acetic acid IUPAC Name: 2-[3-acetyl-4-(3-bromopropoxy)phenyl]acetic acid Traditional Name: 2-[3-acetyl-4-(3-bromopropoxy)phenyl]acetic acid Formula: C13H15BrO4 MolecularWeight: 315.1598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(=O)O)OCCCBr

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CC(=O)O)OCCCBr

InChI

InChI=1S/C13H15BrO4/c1-9(15)11-7-10(8-13(16)17)3-4-12(11)18-6-2-5-14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)