propan-2-yl 6-bromanyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: propan-2-yl 6-bromanyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: isopropyl 6-bromo-5-hydroxy-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-3-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid isopropyl ester Formula: C13H13BrO4 MolecularWeight: 313.14392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OC(C)C

InChI

InChI=1S/C13H13BrO4/c1-6(2)17-13(16)12-7(3)18-11-5-9(14)10(15)4-8(11)12/h4-6,15H,1-3H3