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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

InChI

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