1-(5-bromanyl-2-oxidanyl-3-prop-2-enyl-phenyl)butane-1,3-dione

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-3-prop-2-enyl-phenyl)butane-1,3-dione Openeye Name: 1-(3-allyl-5-bromo-2-hydroxy-phenyl)butane-1,3-dione CAS Name: 1-(5-bromo-2-hydroxy-3-prop-2-enylphenyl)butane-1,3-dione IUPAC Name: 1-(5-bromo-2-hydroxy-3-prop-2-enylphenyl)butane-1,3-dione Traditional Name: 1-(3-allyl-5-bromo-2-hydroxy-phenyl)butane-1,3-dione Formula: C13H13BrO3 MolecularWeight: 297.14452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC(=CC(=C1O)CC=C)Br

Isomeric SMILES

CC(=O)CC(=O)C1=CC(=CC(=C1O)CC=C)Br

InChI

InChI=1S/C13H13BrO3/c1-3-4-9-6-10(14)7-11(13(9)17)12(16)5-8(2)15/h3,6-7,17H,1,4-5H2,2H3