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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=C(OC=C2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=C(OC=C2)C(=O)O)Br

InChI

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