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

Systemtic Name: 5-[(2-bromanyl-4-methyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-bromo-4-methyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-bromo-4-methylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-bromo-4-methylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-bromo-4-methyl-phenoxy)methyl]-2-furoic acid Formula: C13H11BrO4 MolecularWeight: 311.12804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

InChI

InChI=1S/C13H11BrO4/c1-8-2-4-11(10(14)6-8)17-7-9-3-5-12(18-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)