5-chloranyl-1-ethanoyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-chloranyl-1-ethanoyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-acetyl-5-chloro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-acetyl-5-chloro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-acetyl-5-chlorocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-acetyl-5-chloro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C9H9ClO3 MolecularWeight: 200.61896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(=CC=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)C1(CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C9H9ClO3/c1-6(11)9(8(12)13)4-2-3-7(10)5-9/h2-4H,5H2,1H3,(H,12,13)