3-bromanyl-6-(4-methylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 3-bromanyl-6-(4-methylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 3-bromo-4-oxo-6-(p-tolyl)pyran-2-carboxylic acid CAS Name: 3-bromo-6-(4-methylphenyl)-4-oxo-2-pyrancarboxylic acid IUPAC Name: 3-bromo-6-(4-methylphenyl)-4-oxopyran-2-carboxylic acid Traditional Name: 3-bromo-4-keto-6-(p-tolyl)pyran-2-carboxylic acid Formula: C13H9BrO4 MolecularWeight: 309.11216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)C(=O)O)Br

InChI

InChI=1S/C13H9BrO4/c1-7-2-4-8(5-3-7)10-6-9(15)11(14)12(18-10)13(16)17/h2-6H,1H3,(H,16,17)