5-bromanyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-4-hydroxy-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-bromo-4-hydroxy-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-4-hydroxy-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-4-hydroxy-3-methyl-coumarilic acid Formula: C10H7BrO4 MolecularWeight: 271.06418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2)Br)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2)Br)O)C(=O)O

InChI

InChI=1S/C10H7BrO4/c1-4-7-6(15-9(4)10(13)14)3-2-5(11)8(7)12/h2-3,12H,1H3,(H,13,14)