5-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-bromo-4,6-dimethyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-bromo-4,6-dimethylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-bromo-4,6-dimethylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-bromo-4,6-dimethyl-phenoxy)methyl]-2-furoic acid Formula: C14H13BrO4 MolecularWeight: 325.15462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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