methyl 2-(3-bromanylpropyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-(3-bromanylpropyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: methyl 2-(3-bromopropyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-(3-bromopropyl)-5-hydroxy-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromopropyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3-bromopropyl)-5-hydroxy-benzofuran-3-carboxylic acid methyl ester Formula: C13H13BrO4 MolecularWeight: 313.14392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C1C=C(C=C2)O)CCCBr

Isomeric SMILES

COC(=O)C1=C(OC2=C1C=C(C=C2)O)CCCBr

InChI

InChI=1S/C13H13BrO4/c1-17-13(16)12-9-7-8(15)4-5-10(9)18-11(12)3-2-6-14/h4-5,7,15H,2-3,6H2,1H3