3-bromanyl-6-methoxy-5-oxidanyl-3H-2-benzofuran-1-one

Systemtic Name: 3-bromanyl-6-methoxy-5-oxidanyl-3H-2-benzofuran-1-one Openeye Name: 3-bromo-5-hydroxy-6-methoxy-3H-isobenzofuran-1-one CAS Name: 3-bromo-5-hydroxy-6-methoxy-3H-isobenzofuran-1-one IUPAC Name: 3-bromo-5-hydroxy-6-methoxy-3H-2-benzofuran-1-one Traditional Name: 3-bromo-5-hydroxy-6-methoxy-phthalide Formula: C9H7BrO4 MolecularWeight: 259.05348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OC(=O)C2=C1)Br)O

Isomeric SMILES

COC1=C(C=C2C(OC(=O)C2=C1)Br)O

InChI

InChI=1S/C9H7BrO4/c1-13-7-3-5-4(2-6(7)11)8(10)14-9(5)12/h2-3,8,11H,1H3