(E)-4-(5-bromanyl-2-oxidanyl-phenyl)but-3-en-2-one

Systemtic Name: (E)-4-(5-bromanyl-2-oxidanyl-phenyl)but-3-en-2-one Openeye Name: (E)-4-(5-bromo-2-hydroxy-phenyl)but-3-en-2-one CAS Name: (E)-4-(5-bromo-2-hydroxyphenyl)-3-buten-2-one IUPAC Name: (E)-4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one Traditional Name: (E)-4-(5-bromo-2-hydroxy-phenyl)but-3-en-2-one Formula: C10H9BrO2 MolecularWeight: 241.08126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C=CC(=C1)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrO2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h2-6,13H,1H3/b3-2+