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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC2=CC=C(O2)C(=O)O

InChI

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