(E)-3-(5-bromanyl-3-methyl-1-benzofuran-2-yl)but-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-3-methyl-1-benzofuran-2-yl)but-2-enoic acid Openeye Name: (E)-3-(5-bromo-3-methyl-benzofuran-2-yl)but-2-enoic acid CAS Name: (E)-3-(5-bromo-3-methyl-2-benzofuranyl)-2-butenoic acid IUPAC Name: (E)-3-(5-bromo-3-methyl-1-benzofuran-2-yl)but-2-enoic acid Traditional Name: (E)-3-(5-bromo-3-methyl-benzofuran-2-yl)but-2-enoic acid Formula: C13H11BrO3 MolecularWeight: 295.12864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=CC(=O)O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)/C(=C/C(=O)O)/C

InChI

InChI=1S/C13H11BrO3/c1-7(5-12(15)16)13-8(2)10-6-9(14)3-4-11(10)17-13/h3-6H,1-2H3,(H,15,16)/b7-5+