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

Systemtic Name: 5-bromanyl-6-methyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-2-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-2-hydroxy-6-methyl-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-2-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one Formula: C8H7BrO2 MolecularWeight: 215.04398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC=C1Br)O

Isomeric SMILES

CC1=CC(=O)C(=CC=C1Br)O

InChI

InChI=1S/C8H7BrO2/c1-5-4-8(11)7(10)3-2-6(5)9/h2-4H,1H3,(H,10,11)