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

Systemtic Name: 5-[(4-bromanyl-3-methyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-bromo-3-methyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-bromo-3-methylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-bromo-3-methylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-bromo-3-methyl-phenoxy)methyl]-2-furoic acid Formula: C13H11BrO4 MolecularWeight: 311.12804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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