methyl 2-[3-(3-bromanylpropoxy)phenyl]-2-oxidanyl-ethanoate

Systemtic Name: methyl 2-[3-(3-bromanylpropoxy)phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-[3-(3-bromopropoxy)phenyl]-2-hydroxy-acetate CAS Name: 2-[3-(3-bromopropoxy)phenyl]-2-hydroxyacetic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromopropoxy)phenyl]-2-hydroxyacetate Traditional Name: 2-[3-(3-bromopropoxy)phenyl]-2-hydroxy-acetic acid methyl ester Formula: C12H15BrO4 MolecularWeight: 303.1491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrO4/c1-16-12(15)11(14)9-4-2-5-10(8-9)17-7-3-6-13/h2,4-5,8,11,14H,3,6-7H2,1H3