2-[5-(2-bromanylethanoyl)-2-oxidanyl-phenyl]ethyl ethanoate

Systemtic Name: 2-[5-(2-bromanylethanoyl)-2-oxidanyl-phenyl]ethyl ethanoate Openeye Name: 2-[5-(2-bromoacetyl)-2-hydroxy-phenyl]ethyl acetate CAS Name: acetic acid 2-[5-(2-bromo-1-oxoethyl)-2-hydroxyphenyl]ethyl ester IUPAC Name: 2-[5-(2-bromoacetyl)-2-hydroxyphenyl]ethyl acetate Traditional Name: acetic acid 2-[5-(2-bromoacetyl)-2-hydroxy-phenyl]ethyl ester Formula: C12H13BrO4 MolecularWeight: 301.13322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C(C=CC(=C1)C(=O)CBr)O

Isomeric SMILES

CC(=O)OCCC1=C(C=CC(=C1)C(=O)CBr)O

InChI

InChI=1S/C12H13BrO4/c1-8(14)17-5-4-10-6-9(12(16)7-13)2-3-11(10)15/h2-3,6,15H,4-5,7H2,1H3