3-bromanyl-6-ethanoyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-bromanyl-6-ethanoyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-acetyl-3-bromo-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-acetyl-3-bromo-6-hydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-acetyl-3-bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-acetyl-3-bromo-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C9H9BrO4 MolecularWeight: 261.06936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC(=CC1C(=O)O)Br)O

Isomeric SMILES

CC(=O)C1(C=CC(=CC1C(=O)O)Br)O

InChI

InChI=1S/C9H9BrO4/c1-5(11)9(14)3-2-6(10)4-7(9)8(12)13/h2-4,7,14H,1H3,(H,12,13)