5-[(4-bromanyl-2,3-dimethyl-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-bromanyl-2,3-dimethyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-bromo-2,3-dimethyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-bromo-2,3-dimethylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-bromo-2,3-dimethylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-bromo-2,3-dimethyl-phenoxy)methyl]-2-furoic acid Formula: C14H13BrO4 MolecularWeight: 325.15462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H13BrO4/c1-8-9(2)12(6-4-11(8)15)18-7-10-3-5-13(19-10)14(16)17/h3-6H,7H2,1-2H3,(H,16,17)