5-bromanyl-3-ethanoyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-bromanyl-3-ethanoyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-acetyl-5-bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-acetyl-5-bromo-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-acetyl-5-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-acetyl-5-bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C9H7BrO3 MolecularWeight: 243.05408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7BrO3/c1-5(11)7-4-6(10)2-3-8(12)9(7)13/h2-4H,1H3,(H,12,13)